[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol

C12H20N4O — CID 115457224

IUPAC[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
SMILESCCCNc1cc(NCC2(CO)CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-2-5-13-10-6-11(16-9-15-10)14-7-12(8-17)3-4-12/h6,9,17H,2-5,7-8H2,1H3,(H2,13,14,15,16)
InChIKeyMBAGIYSJPVKQEW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.48
Rot. Bonds7

About [1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol

[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol (PubChem CID 115457224) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
PubChem CID115457224
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
SMILESCCCNc1cc(NCC2(CO)CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-2-5-13-10-6-11(16-9-15-10)14-7-12(8-17)3-4-12/h6,9,17H,2-5,7-8H2,1H3,(H2,13,14,15,16)
InChIKeyMBAGIYSJPVKQEW-UHFFFAOYSA-N
XLogP1.48
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759513
[1-[[[6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968726
[1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457178
[1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 112697562
[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115360640
[1-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103967277
[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115361870
6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761666
[1-[[(6-aminopyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359835
4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80852928
4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 113491390
2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 133496769

Frequently Asked Questions

What is the IUPAC name of [1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol (CID 115457224) is [1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol is CCCNc1cc(NCC2(CO)CC2)ncn1.
What is the InChIKey of [1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
The InChIKey is MBAGIYSJPVKQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-5-13-10-6-11(16-9-15-10)14-7-12(8-17)3-4-12/h6,9,17H,2-5,7-8H2,1H3,(H2,13,14,15,16).
What are the key properties of [1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol?
[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol has a molecular weight of 236.32 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115457224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).