Skip to content

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

C19H23F2N5O — CID 171326572

Data last refreshed: (MolForge compound catalog, from PubChem)

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.