1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

C9H16N4O — CID 80840720

IUPAC1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCc1c(N)ncnc1NCC(C)(C)O
InChIInChI=1S/C9H16N4O/c1-6-7(10)12-5-13-8(6)11-4-9(2,3)14/h5,14H,4H2,1-3H3,(H3,10,11,12,13)
InChIKeyLSWMOJKFVVYLDR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.55
Rot. Bonds3

About 1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 80840720) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID80840720
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCc1c(N)ncnc1NCC(C)(C)O
InChIInChI=1S/C9H16N4O/c1-6-7(10)12-5-13-8(6)11-4-9(2,3)14/h5,14H,4H2,1-3H3,(H3,10,11,12,13)
InChIKeyLSWMOJKFVVYLDR-UHFFFAOYSA-N
XLogP0.55
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80842506
1-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257973
1-[(6-amino-5-nitropyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80840719
2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 175667994
methyl 3-[(6-amino-5-methylpyrimidin-4-yl)amino]propanoate
CID 80796856
5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831472
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 80772369
2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80841458
2-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80779997
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80819686
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine
CID 80833143
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366620

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (CID 80840720) is 1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is Cc1c(N)ncnc1NCC(C)(C)O.
What is the InChIKey of 1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is LSWMOJKFVVYLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-7(10)12-5-13-8(6)11-4-9(2,3)14/h5,14H,4H2,1-3H3,(H3,10,11,12,13).
What are the key properties of 1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 80840720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).