[1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol

C12H20N4O — CID 115457185

IUPAC[1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
SMILESCCCc1nc(N)cc(NCC2(CO)CC2)n1
InChIInChI=1S/C12H20N4O/c1-2-3-10-15-9(13)6-11(16-10)14-7-12(8-17)4-5-12/h6,17H,2-5,7-8H2,1H3,(H3,13,14,15,16)
InChIKeyVHXUFMUGWNCZNG-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.20
Rot. Bonds6

About [1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol

[1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol (PubChem CID 115457185) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
PubChem CID115457185
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
SMILESCCCc1nc(N)cc(NCC2(CO)CC2)n1
InChIInChI=1S/C12H20N4O/c1-2-3-10-15-9(13)6-11(16-10)14-7-12(8-17)4-5-12/h6,17H,2-5,7-8H2,1H3,(H3,13,14,15,16)
InChIKeyVHXUFMUGWNCZNG-UHFFFAOYSA-N
XLogP1.20
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759552
[1-[(6-amino-2-propylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 80955109
[4-[(6-amino-2-propylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301136
[1-[[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 113313781
2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 114126574
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169930
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
2-propylpyrimidine-4,6-diamine
CID 67304918
[1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 79478877

Frequently Asked Questions

What is the IUPAC name of [1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol (CID 115457185) is [1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol is CCCc1nc(N)cc(NCC2(CO)CC2)n1.
What is the InChIKey of [1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The InChIKey is VHXUFMUGWNCZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-3-10-15-9(13)6-11(16-10)14-7-12(8-17)4-5-12/h6,17H,2-5,7-8H2,1H3,(H3,13,14,15,16).
What are the key properties of [1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
[1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol has a molecular weight of 236.32 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115457185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).