5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine

C16H30N6 — CID 67157158

IUPAC5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine
SMILESC[C@@H]1CN(c2nc(N)nc(N)c2CCC(C)(C)C)CCN1C
InChIInChI=1S/C16H30N6/c1-11-10-22(9-8-21(11)5)14-12(6-7-16(2,3)4)13(17)19-15(18)20-14/h11H,6-10H2,1-5H3,(H4,17,18,19,20)/t11-/m1/s1
InChIKeyCGTZNPFOPWRYMF-LLVKDONJSA-N
MW306.46 g/mol
LogP1.76
Rot. Bonds3

About 5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine

5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 67157158) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID67157158
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Name5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine
SMILESC[C@@H]1CN(c2nc(N)nc(N)c2CCC(C)(C)C)CCN1C
InChIInChI=1S/C16H30N6/c1-11-10-22(9-8-21(11)5)14-12(6-7-16(2,3)4)13(17)19-15(18)20-14/h11H,6-10H2,1-5H3,(H4,17,18,19,20)/t11-/m1/s1
InChIKeyCGTZNPFOPWRYMF-LLVKDONJSA-N
XLogP1.76
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80983989
5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 67156312
5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
CID 66741052
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80735813
4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834015
[2-(3,4-dimethylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 55218131
2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine
CID 63609084
6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80834520
3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine
CID 81036781
N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80638985
5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;dihydrate
CID 129073743
6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine
CID 66741126

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine (CID 67157158) is 5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine is C[C@@H]1CN(c2nc(N)nc(N)c2CCC(C)(C)C)CCN1C.
What is the InChIKey of 5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is CGTZNPFOPWRYMF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H30N6/c1-11-10-22(9-8-21(11)5)14-12(6-7-16(2,3)4)13(17)19-15(18)20-14/h11H,6-10H2,1-5H3,(H4,17,18,19,20)/t11-/m1/s1.
What are the key properties of 5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine?
5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 306.46 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67157158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).