N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

C18H32N6 — CID 162669973

IUPACN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NC(C)CN3CCN(C)CC3)n2)CC1
InChIInChI=1S/C18H32N6/c1-15-5-8-24(9-6-15)17-4-7-19-18(21-17)20-16(2)14-23-12-10-22(3)11-13-23/h4,7,15-16H,5-6,8-14H2,1-3H3,(H,19,20,21)
InChIKeyASHBQTXIYOLPQT-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.76
Rot. Bonds5

About N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 162669973) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID162669973
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC NameN-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NC(C)CN3CCN(C)CC3)n2)CC1
InChIInChI=1S/C18H32N6/c1-15-5-8-24(9-6-15)17-4-7-19-18(21-17)20-16(2)14-23-12-10-22(3)11-13-23/h4,7,15-16H,5-6,8-14H2,1-3H3,(H,19,20,21)
InChIKeyASHBQTXIYOLPQT-UHFFFAOYSA-N
XLogP1.76
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 162669973) is N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is CC1CCN(c2ccnc(NC(C)CN3CCN(C)CC3)n2)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is ASHBQTXIYOLPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6/c1-15-5-8-24(9-6-15)17-4-7-19-18(21-17)20-16(2)14-23-12-10-22(3)11-13-23/h4,7,15-16H,5-6,8-14H2,1-3H3,(H,19,20,21).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 332.50 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 162669973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).