2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine

C12H20N4O — CID 129380989

IUPAC2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(N[C@@H](C)COC)nc(C2CC2)n1
InChIInChI=1S/C12H20N4O/c1-8(7-17-3)14-11-6-10(13-2)15-12(16-11)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H2,13,14,15,16)/t8-/m0/s1
InChIKeyXQGLRBPRZTZVSM-QMMMGPOBSA-N
MW236.32 g/mol
LogP1.84
Rot. Bonds6

About 2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 129380989) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID129380989
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(N[C@@H](C)COC)nc(C2CC2)n1
InChIInChI=1S/C12H20N4O/c1-8(7-17-3)14-11-6-10(13-2)15-12(16-11)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H2,13,14,15,16)/t8-/m0/s1
InChIKeyXQGLRBPRZTZVSM-QMMMGPOBSA-N
XLogP1.84
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine
CID 114071046
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80967067
2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 80968993
1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967408
4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80844529
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316
N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456492
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80813392
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163235
2-N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950002

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine (CID 129380989) is 2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(N[C@@H](C)COC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is XQGLRBPRZTZVSM-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(7-17-3)14-11-6-10(13-2)15-12(16-11)9-4-5-9/h6,8-9H,4-5,7H2,1-3H3,(H2,13,14,15,16)/t8-/m0/s1.
What are the key properties of 2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 129380989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).