2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine

C12H21ClN4 — CID 19428515

IUPAC2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1cc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C12H21ClN4/c1-11(2,3)16-9-7-8(13)14-10(15-9)17-12(4,5)6/h7H,1-6H3,(H2,14,15,16,17)
InChIKeyZYGNSMIAILIJIR-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.55
Rot. Bonds2

About 2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine

2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine (PubChem CID 19428515) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine
PubChem CID19428515
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine
SMILESCC(C)(C)Nc1cc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C12H21ClN4/c1-11(2,3)16-9-7-8(13)14-10(15-9)17-12(4,5)6/h7H,1-6H3,(H2,14,15,16,17)
InChIKeyZYGNSMIAILIJIR-UHFFFAOYSA-N
XLogP3.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
N-tert-butyl-6-chloro-2-(difluoromethyl)pyrimidin-4-amine
CID 169247529
N-tert-butyl-6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 19428532
4-N-tert-butyl-2-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899778
2-N-tert-butyl-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899845
4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899779
2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899847
4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875999
2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine
CID 130569788
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol
CID 79880391
2-N-tert-butyl-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908535
4-N-tert-butyl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112899784

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine (CID 19428515) is 2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine is CC(C)(C)Nc1cc(Cl)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine?
The InChIKey is ZYGNSMIAILIJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-11(2,3)16-9-7-8(13)14-10(15-9)17-12(4,5)6/h7H,1-6H3,(H2,14,15,16,17).
What are the key properties of 2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine?
2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine has a molecular weight of 256.78 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-ditert-butyl-6-chloropyrimidine-2,4-diamine is sourced from PubChem (CID 19428515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).