N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

C19H29N7 — CID 128981757

IUPACN-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCN1CCC[C@@H](CNc2cc(N3CCCC3)ncn2)[C@@H]1c1ccnn1C
InChIInChI=1S/C19H29N7/c1-24-9-5-6-15(19(24)16-7-8-23-25(16)2)13-20-17-12-18(22-14-21-17)26-10-3-4-11-26/h7-8,12,14-15,19H,3-6,9-11,13H2,1-2H3,(H,20,21,22)/t15-,19+/m0/s1
InChIKeyARLRXLFOEMSCRR-HNAYVOBHSA-N
MW355.49 g/mol
LogP2.31
Rot. Bonds5

About N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 128981757) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID128981757
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC NameN-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCN1CCC[C@@H](CNc2cc(N3CCCC3)ncn2)[C@@H]1c1ccnn1C
InChIInChI=1S/C19H29N7/c1-24-9-5-6-15(19(24)16-7-8-23-25(16)2)13-20-17-12-18(22-14-21-17)26-10-3-4-11-26/h7-8,12,14-15,19H,3-6,9-11,13H2,1-2H3,(H,20,21,22)/t15-,19+/m0/s1
InChIKeyARLRXLFOEMSCRR-HNAYVOBHSA-N
XLogP2.31
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine
CID 154736804
2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide
CID 128977860
2-cyano-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 128984602
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128989331
2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
CID 128984529
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-2-carbonitrile
CID 167892074
2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide
CID 128989481
2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
CID 128989291
[1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300724
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 128981640
1-(furan-2-ylmethyl)-2-methyl-3-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
CID 120972939

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 128981757) is N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is CN1CCC[C@@H](CNc2cc(N3CCCC3)ncn2)[C@@H]1c1ccnn1C.
What is the InChIKey of N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is ARLRXLFOEMSCRR-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H29N7/c1-24-9-5-6-15(19(24)16-7-8-23-25(16)2)13-20-17-12-18(22-14-21-17)26-10-3-4-11-26/h7-8,12,14-15,19H,3-6,9-11,13H2,1-2H3,(H,20,21,22)/t15-,19+/m0/s1.
What are the key properties of N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 355.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 128981757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).