3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

C13H20N4O — CID 80958777

IUPAC3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C13H20N4O/c1-17(7-8-4-10(18)5-8)12-6-11(14)15-13(16-12)9-2-3-9/h6,8-10,18H,2-5,7H2,1H3,(H2,14,15,16)
InChIKeyZKHYKOUNZMDRGM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.14
Rot. Bonds4

About 3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 80958777) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID80958777
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCN(CC1CC(O)C1)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C13H20N4O/c1-17(7-8-4-10(18)5-8)12-6-11(14)15-13(16-12)9-2-3-9/h6,8-10,18H,2-5,7H2,1H3,(H2,14,15,16)
InChIKeyZKHYKOUNZMDRGM-UHFFFAOYSA-N
XLogP1.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2,6-diaminopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80855794
3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80949667
2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80959909
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
2-cyclopropyl-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80956522
2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80967434
2-cyclopropyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80959527
2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80967612
4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine
CID 80960822
2-cyclopropyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80955502
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967726

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (CID 80958777) is 3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is CN(CC1CC(O)C1)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is ZKHYKOUNZMDRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17(7-8-4-10(18)5-8)12-6-11(14)15-13(16-12)9-2-3-9/h6,8-10,18H,2-5,7H2,1H3,(H2,14,15,16).
What are the key properties of 3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80958777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).