N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine

C19H27FN6 — CID 128981640

IUPACN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)c1F
InChIInChI=1S/C19H27FN6/c1-3-15-17(20)19(23-12-22-15)21-11-13-5-4-10-26(14-6-7-14)18(13)16-8-9-24-25(16)2/h8-9,12-14,18H,3-7,10-11H2,1-2H3,(H,21,22,23)/t13-,18+/m0/s1
InChIKeyUIMGDRZHFLAYPN-SCLBCKFNSA-N
MW358.47 g/mol
LogP2.94
Rot. Bonds6

About N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 128981640) has the molecular formula C19H27FN6 and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID128981640
Molecular FormulaC19H27FN6
Molecular Weight358.47 g/mol
Exact Mass358.23
IUPAC NameN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)c1F
InChIInChI=1S/C19H27FN6/c1-3-15-17(20)19(23-12-22-15)21-11-13-5-4-10-26(14-6-7-14)18(13)16-8-9-24-25(16)2/h8-9,12-14,18H,3-7,10-11H2,1-2H3,(H,21,22,23)/t13-,18+/m0/s1
InChIKeyUIMGDRZHFLAYPN-SCLBCKFNSA-N
XLogP2.94
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045871
1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 114554500
4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide
CID 154795631
4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile
CID 167892074
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
CID 154756685
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 128981714
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide
CID 128984974
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 128989386
4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
CID 124885111
[1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine
CID 114557755
N'-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]azetidine-1-carboximidamide
CID 122096030
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 128981757

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 128981640) is N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)c1F.
What is the InChIKey of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is UIMGDRZHFLAYPN-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H27FN6/c1-3-15-17(20)19(23-12-22-15)21-11-13-5-4-10-26(14-6-7-14)18(13)16-8-9-24-25(16)2/h8-9,12-14,18H,3-7,10-11H2,1-2H3,(H,21,22,23)/t13-,18+/m0/s1.
What are the key properties of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 358.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 128981640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).