N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine

C16H29N5 — CID 83180428

IUPACN-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCN(C(C)C)CC2)ncc1CNC(C)C
InChIInChI=1S/C16H29N5/c1-12(2)17-10-15-11-18-16(19-14(15)5)21-8-6-20(7-9-21)13(3)4/h11-13,17H,6-10H2,1-5H3
InChIKeyXPOJHMUIMHCOGZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.81
Rot. Bonds5

About N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine

N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83180428) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83180428
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCN(C(C)C)CC2)ncc1CNC(C)C
InChIInChI=1S/C16H29N5/c1-12(2)17-10-15-11-18-16(19-14(15)5)21-8-6-20(7-9-21)13(3)4/h11-13,17H,6-10H2,1-5H3
InChIKeyXPOJHMUIMHCOGZ-UHFFFAOYSA-N
XLogP1.81
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine (CID 83180428) is N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(N2CCN(C(C)C)CC2)ncc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is XPOJHMUIMHCOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12(2)17-10-15-11-18-16(19-14(15)5)21-8-6-20(7-9-21)13(3)4/h11-13,17H,6-10H2,1-5H3.
What are the key properties of N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83180428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).