N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine

C19H23F2N5O — CID 171326572

IUPACN-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(Cc3c(F)cncc3F)CC2)ncn1
InChIInChI=1S/C19H23F2N5O/c1-27-19-8-18(23-12-24-19)26(13-2-3-13)14-4-6-25(7-5-14)11-15-16(20)9-22-10-17(15)21/h8-10,12-14H,2-7,11H2,1H3
InChIKeyFEYQBEZAKJMAIF-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.79
Rot. Bonds6

About N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine

N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine (PubChem CID 171326572) has the molecular formula C19H23F2N5O and a molecular weight of 375.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
PubChem CID171326572
Molecular FormulaC19H23F2N5O
Molecular Weight375.42 g/mol
Exact Mass375.19
IUPAC NameN-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(Cc3c(F)cncc3F)CC2)ncn1
InChIInChI=1S/C19H23F2N5O/c1-27-19-8-18(23-12-24-19)26(13-2-3-13)14-4-6-25(7-5-14)11-15-16(20)9-22-10-17(15)21/h8-10,12-14H,2-7,11H2,1H3
InChIKeyFEYQBEZAKJMAIF-UHFFFAOYSA-N
XLogP2.79
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126891260
N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171326432
N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126891176
N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126891287
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 126851874
N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 171705072
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891163
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891211
N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891335
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
2-[3-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-fluorobenzonitrile
CID 171997713
N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891328

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine (CID 171326572) is N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(Cc3c(F)cncc3F)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is FEYQBEZAKJMAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O/c1-27-19-8-18(23-12-24-19)26(13-2-3-13)14-4-6-25(7-5-14)11-15-16(20)9-22-10-17(15)21/h8-10,12-14H,2-7,11H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 375.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 171326572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).