2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

C16H27ClN4 — CID 80971681

IUPAC2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(C)CC1CCN(C)C1
InChIInChI=1S/C16H27ClN4/c1-11-13(17)18-15(16(2,3)4)19-14(11)21(6)10-12-7-8-20(5)9-12/h12H,7-10H2,1-6H3
InChIKeyCBQVOZFLJDINHM-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.12
Rot. Bonds3

About 2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 80971681) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID80971681
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC Name2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(C)CC1CCN(C)C1
InChIInChI=1S/C16H27ClN4/c1-11-13(17)18-15(16(2,3)4)19-14(11)21(6)10-12-7-8-20(5)9-12/h12H,7-10H2,1-6H3
InChIKeyCBQVOZFLJDINHM-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 80972664
3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80977886
2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
CID 80977507
1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80978159
3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine
CID 63235390
2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81061593
N-benzyl-2-tert-butyl-6-chloro-N,5-dimethylpyrimidin-4-amine
CID 80973830
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006290
5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63273907
5-chloro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1H-pyrimidin-6-one
CID 137009644
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 63275034
6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 79314849

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (CID 80971681) is 2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is Cc1c(Cl)nc(C(C)(C)C)nc1N(C)CC1CCN(C)C1.
What is the InChIKey of 2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is CBQVOZFLJDINHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-11-13(17)18-15(16(2,3)4)19-14(11)21(6)10-12-7-8-20(5)9-12/h12H,7-10H2,1-6H3.
What are the key properties of 2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 310.87 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80971681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).