6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine

C12H18ClN3 — CID 103742855

IUPAC6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC2(C(C)C)CC2)n1
InChIInChI=1S/C12H18ClN3/c1-8(2)12(4-5-12)7-14-11-6-10(13)15-9(3)16-11/h6,8H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyIPSKXZOZHMHIPU-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.29
Rot. Bonds4

About 6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine

6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 103742855) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID103742855
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC2(C(C)C)CC2)n1
InChIInChI=1S/C12H18ClN3/c1-8(2)12(4-5-12)7-14-11-6-10(13)15-9(3)16-11/h6,8H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyIPSKXZOZHMHIPU-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114406
6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114416
2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824087
6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
CID 115764320
1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121856
6-chloro-2-methyl-N-(2-methylsulfanylpropyl)pyrimidin-4-amine
CID 115756052
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
CID 113230295
1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 133282520

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine (CID 103742855) is 6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine is Cc1nc(Cl)cc(NCC2(C(C)C)CC2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is IPSKXZOZHMHIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8(2)12(4-5-12)7-14-11-6-10(13)15-9(3)16-11/h6,8H,4-5,7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine?
6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103742855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).