N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine

C13H22N4 — CID 79720132

IUPACN-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)N(CC1CCNCC1)c1ccncn1
InChIInChI=1S/C13H22N4/c1-11(2)17(13-5-8-15-10-16-13)9-12-3-6-14-7-4-12/h5,8,10-12,14H,3-4,6-7,9H2,1-2H3
InChIKeyNVLCKVJSYMWUBA-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.69
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine

N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine (PubChem CID 79720132) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
PubChem CID79720132
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)N(CC1CCNCC1)c1ccncn1
InChIInChI=1S/C13H22N4/c1-11(2)17(13-5-8-15-10-16-13)9-12-3-6-14-7-4-12/h5,8,10-12,14H,3-4,6-7,9H2,1-2H3
InChIKeyNVLCKVJSYMWUBA-UHFFFAOYSA-N
XLogP1.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine (CID 79720132) is N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine is CC(C)N(CC1CCNCC1)c1ccncn1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is NVLCKVJSYMWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(2)17(13-5-8-15-10-16-13)9-12-3-6-14-7-4-12/h5,8,10-12,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine?
N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 79720132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).