N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine

C19H27N5 — CID 166889012

IUPACN-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cnc(NC2CCC(Cc3ccc(N)nc3)CC2)nc1
InChIInChI=1S/C19H27N5/c1-13(2)16-11-22-19(23-12-16)24-17-6-3-14(4-7-17)9-15-5-8-18(20)21-10-15/h5,8,10-14,17H,3-4,6-7,9H2,1-2H3,(H2,20,21)(H,22,23,24)
InChIKeyMTIOIVUKOXDREN-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.79
Rot. Bonds5

About N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine

N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine (PubChem CID 166889012) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine
PubChem CID166889012
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cnc(NC2CCC(Cc3ccc(N)nc3)CC2)nc1
InChIInChI=1S/C19H27N5/c1-13(2)16-11-22-19(23-12-16)24-17-6-3-14(4-7-17)9-15-5-8-18(20)21-10-15/h5,8,10-14,17H,3-4,6-7,9H2,1-2H3,(H2,20,21)(H,22,23,24)
InChIKeyMTIOIVUKOXDREN-UHFFFAOYSA-N
XLogP3.79
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine (CID 166889012) is N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine is CC(C)c1cnc(NC2CCC(Cc3ccc(N)nc3)CC2)nc1.
What is the InChIKey of N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine?
The InChIKey is MTIOIVUKOXDREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-13(2)16-11-22-19(23-12-16)24-17-6-3-14(4-7-17)9-15-5-8-18(20)21-10-15/h5,8,10-14,17H,3-4,6-7,9H2,1-2H3,(H2,20,21)(H,22,23,24).
What are the key properties of N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine?
N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine has a molecular weight of 325.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-amino-3-pyridinyl)methyl]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 166889012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).