4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine

C16H29N5 — CID 60732106

IUPAC4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC(C(C)C)N2CCN(C)CC2)n1
InChIInChI=1S/C16H29N5/c1-12(2)15(21-8-6-20(5)7-9-21)11-17-16-18-13(3)10-14(4)19-16/h10,12,15H,6-9,11H2,1-5H3,(H,17,18,19)
InChIKeyBAXOAPPYORHRAN-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.78
Rot. Bonds5

About 4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine

4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine (PubChem CID 60732106) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine
PubChem CID60732106
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC(C(C)C)N2CCN(C)CC2)n1
InChIInChI=1S/C16H29N5/c1-12(2)15(21-8-6-20(5)7-9-21)11-17-16-18-13(3)10-14(4)19-16/h10,12,15H,6-9,11H2,1-5H3,(H,17,18,19)
InChIKeyBAXOAPPYORHRAN-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 24994634
CID 24994634
CID 24798144
CID 24798144
CID 59777341
CID 59777341
CID 4778269
CID 4778269
CID 3223293
CID 3223293
CID 3228743
CID 3228743
CID 24797775
CID 24797775
CID 24994630
CID 24994630
CID 24994635
CID 24994635
CID 25128826
CID 25128826
CID 42623567
CID 42623567
CID 42623731
CID 42623731

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine (CID 60732106) is 4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine is Cc1cc(C)nc(NCC(C(C)C)N2CCN(C)CC2)n1.
What is the InChIKey of 4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine?
The InChIKey is BAXOAPPYORHRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12(2)15(21-8-6-20(5)7-9-21)11-17-16-18-13(3)10-14(4)19-16/h10,12,15H,6-9,11H2,1-5H3,(H,17,18,19).
What are the key properties of 4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine?
4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine has a molecular weight of 291.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine is sourced from PubChem (CID 60732106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).