N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

C15H27ClN4 — CID 80949365

IUPACN-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C15H27ClN4/c1-14(2,3)13-18-11(16)8-12(19-13)17-9-15(4,5)10-20(6)7/h8H,9-10H2,1-7H3,(H,17,18,19)
InChIKeyPBNBXXBYMJKMIM-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.43
Rot. Bonds5

About N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 80949365) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID80949365
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC NameN-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C15H27ClN4/c1-14(2,3)13-18-11(16)8-12(19-13)17-9-15(4,5)10-20(6)7/h8H,9-10H2,1-7H3,(H,17,18,19)
InChIKeyPBNBXXBYMJKMIM-UHFFFAOYSA-N
XLogP3.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 80950737
N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 114562209
2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341655
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770425
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
2-tert-butyl-6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
CID 83113055
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940430
2-tert-butyl-6-chloro-N-pent-4-ynylpyrimidin-4-amine
CID 106223105
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile
CID 114765679
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956669

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 80949365) is N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is PBNBXXBYMJKMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-14(2,3)13-18-11(16)8-12(19-13)17-9-15(4,5)10-20(6)7/h8H,9-10H2,1-7H3,(H,17,18,19).
What are the key properties of N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 298.86 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 80949365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).