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

C9H16N4O — CID 129372111

IUPAC4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine
SMILESCOC[C@H](C)Nc1cc(N)nc(C)n1
InChIInChI=1S/C9H16N4O/c1-6(5-14-3)11-9-4-8(10)12-7(2)13-9/h4,6H,5H2,1-3H3,(H3,10,11,12,13)/t6-/m0/s1
InChIKeyYDDWOBSIRUTECR-LURJTMIESA-N
MW196.25 g/mol
LogP0.81
Rot. Bonds4

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

4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine (PubChem CID 129372111) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine
PubChem CID129372111
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine
SMILESCOC[C@H](C)Nc1cc(N)nc(C)n1
InChIInChI=1S/C9H16N4O/c1-6(5-14-3)11-9-4-8(10)12-7(2)13-9/h4,6H,5H2,1-3H3,(H3,10,11,12,13)/t6-/m0/s1
InChIKeyYDDWOBSIRUTECR-LURJTMIESA-N
XLogP0.81
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine
CID 80838338
4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 80815883
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80836350
2-N-(1-methoxypropan-2-yl)pyrazine-2,5-diamine
CID 80652455
4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563868
2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
CID 80788207
2-ethyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80940815
6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 112724489
4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112868226
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785414
2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 133367691
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80802316

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine (CID 129372111) is 4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine is COC[C@H](C)Nc1cc(N)nc(C)n1.
What is the InChIKey of 4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is YDDWOBSIRUTECR-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(5-14-3)11-9-4-8(10)12-7(2)13-9/h4,6H,5H2,1-3H3,(H3,10,11,12,13)/t6-/m0/s1.
What are the key properties of 4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine?
4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 129372111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).