2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

C12H20N4O2 — CID 80986308

IUPAC2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCc1c(N)nc(C2CC2)nc1N(CCO)CCO
InChIInChI=1S/C12H20N4O2/c1-8-10(13)14-11(9-2-3-9)15-12(8)16(4-6-17)5-7-18/h9,17-18H,2-7H2,1H3,(H2,13,14,15)
InChIKeyCTJCHTNVHFKACD-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.04
Rot. Bonds6

About 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 80986308) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID80986308
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCc1c(N)nc(C2CC2)nc1N(CCO)CCO
InChIInChI=1S/C12H20N4O2/c1-8-10(13)14-11(9-2-3-9)15-12(8)16(4-6-17)5-7-18/h9,17-18H,2-7H2,1H3,(H2,13,14,15)
InChIKeyCTJCHTNVHFKACD-UHFFFAOYSA-N
XLogP0.04
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80995526
2-cyclopropyl-4-N-ethyl-4-N-(2-ethylbutyl)-5-methylpyrimidine-4,6-diamine
CID 80987255
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 107403129
3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918467
2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80982959
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide
CID 80986101
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80993505
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80988848
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80984918
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972466
N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80973601
2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80983282

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 80986308) is 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is Cc1c(N)nc(C2CC2)nc1N(CCO)CCO.
What is the InChIKey of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is CTJCHTNVHFKACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-10(13)14-11(9-2-3-9)15-12(8)16(4-6-17)5-7-18/h9,17-18H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 252.32 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 80986308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).