6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine

C12H19ClN4 — CID 80734968

IUPAC6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCC1(C)C(CNc2cc(Cl)nc(N)n2)C1(C)C
InChIInChI=1S/C12H19ClN4/c1-11(2)7(12(11,3)4)6-15-9-5-8(13)16-10(14)17-9/h5,7H,6H2,1-4H3,(H3,14,15,16,17)
InChIKeyPEHAZYXYAKPPRA-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.81
Rot. Bonds3

About 6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine

6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80734968) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
PubChem CID80734968
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCC1(C)C(CNc2cc(Cl)nc(N)n2)C1(C)C
InChIInChI=1S/C12H19ClN4/c1-11(2)7(12(11,3)4)6-15-9-5-8(13)16-10(14)17-9/h5,7H,6H2,1-4H3,(H3,14,15,16,17)
InChIKeyPEHAZYXYAKPPRA-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4,6-triamine
CID 80848372
6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80950784
6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine
CID 130921223
6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 78952257
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 78931860
6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
CID 103463549
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine
CID 79350173
6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine
CID 115591456
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
6-chloro-4-N-(4,4-dimethylcyclohexyl)pyrimidine-2,4-diamine
CID 79033810
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 112725449

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine (CID 80734968) is 6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine is CC1(C)C(CNc2cc(Cl)nc(N)n2)C1(C)C.
What is the InChIKey of 6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is PEHAZYXYAKPPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-11(2)7(12(11,3)4)6-15-9-5-8(13)16-10(14)17-9/h5,7H,6H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 254.76 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80734968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).