1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

C9H16N4O — CID 80848859

IUPAC1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccnc(N)n1
InChIInChI=1S/C9H16N4O/c1-9(2,14)6-13(3)7-4-5-11-8(10)12-7/h4-5,14H,6H2,1-3H3,(H2,10,11,12)
InChIKeyAXBHECDBPFHSDG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.27
Rot. Bonds3

About 1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 80848859) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID80848859
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccnc(N)n1
InChIInChI=1S/C9H16N4O/c1-9(2,14)6-13(3)7-4-5-11-8(10)12-7/h4-5,14H,6H2,1-3H3,(H2,10,11,12)
InChIKeyAXBHECDBPFHSDG-UHFFFAOYSA-N
XLogP0.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
N4-(2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 80796929
4-N-(3-methoxy-2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 122536475
N4,N4-dimethylpyrimidine-2,4-diamine
CID 13125495
3-[(2-Aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366516
2,4-Bis(dimethylamino)pyrimidine
CID 239962
4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 49856639
4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 49856640
4-N-[3-(methylamino)propyl]pyrimidine-2,4-diamine
CID 49856815
4-N-(3-aminopropyl)-4-N-methylpyrimidine-2,4-diamine
CID 49856816
2-tert-Butylpyrimidin-4-amine
CID 13925298
4-N-(3-amino-2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 49856820

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (CID 80848859) is 1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1ccnc(N)n1.
What is the InChIKey of 1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is AXBHECDBPFHSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,14)6-13(3)7-4-5-11-8(10)12-7/h4-5,14H,6H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80848859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).