N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine

C18H25N5 — CID 86342338

IUPACN-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(C3CCCNC3)nc(C(C)C)n2)c1
InChIInChI=1S/C18H25N5/c1-12(2)18-21-15(14-5-4-7-19-11-14)10-17(23-18)22-16-9-13(3)6-8-20-16/h6,8-10,12,14,19H,4-5,7,11H2,1-3H3,(H,20,21,22,23)
InChIKeyZJFWTSKCLGOHCE-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.51
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine

N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 86342338) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine
PubChem CID86342338
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(C3CCCNC3)nc(C(C)C)n2)c1
InChIInChI=1S/C18H25N5/c1-12(2)18-21-15(14-5-4-7-19-11-14)10-17(23-18)22-16-9-13(3)6-8-20-16/h6,8-10,12,14,19H,4-5,7,11H2,1-3H3,(H,20,21,22,23)
InChIKeyZJFWTSKCLGOHCE-UHFFFAOYSA-N
XLogP3.51
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine (CID 86342338) is N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine is Cc1ccnc(Nc2cc(C3CCCNC3)nc(C(C)C)n2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZJFWTSKCLGOHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-12(2)18-21-15(14-5-4-7-19-11-14)10-17(23-18)22-16-9-13(3)6-8-20-16/h6,8-10,12,14,19H,4-5,7,11H2,1-3H3,(H,20,21,22,23).
What are the key properties of N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine?
N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 86342338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).