2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine

C16H29N5 — CID 114541823

IUPAC2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1N1CC(C)N(C)C(C)C1
InChIInChI=1S/C16H29N5/c1-10-8-21(9-11(2)20(10)7)14-12(3)13(17)18-15(19-14)16(4,5)6/h10-11H,8-9H2,1-7H3,(H2,17,18,19)
InChIKeyPFUXJVOAZMHOFP-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.19
Rot. Bonds1

About 2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine

2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 114541823) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID114541823
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1N1CC(C)N(C)C(C)C1
InChIInChI=1S/C16H29N5/c1-10-8-21(9-11(2)20(10)7)14-12(3)13(17)18-15(19-14)16(4,5)6/h10-11H,8-9H2,1-7H3,(H2,17,18,19)
InChIKeyPFUXJVOAZMHOFP-UHFFFAOYSA-N
XLogP2.19
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine (CID 114541823) is 2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1N1CC(C)N(C)C(C)C1.
What is the InChIKey of 2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is PFUXJVOAZMHOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-10-8-21(9-11(2)20(10)7)14-12(3)13(17)18-15(19-14)16(4,5)6/h10-11H,8-9H2,1-7H3,(H2,17,18,19).
What are the key properties of 2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 114541823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).