3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol

C13H24N4O — CID 106118514

IUPAC3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(NC)ncc1C
InChIInChI=1S/C13H24N4O/c1-4-5-11(6-7-18)9-15-12-10(2)8-16-13(14-3)17-12/h8,11,18H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyJMROPWZHNMJFOR-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.04
Rot. Bonds8

About 3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol

3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol (PubChem CID 106118514) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol
PubChem CID106118514
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(NC)ncc1C
InChIInChI=1S/C13H24N4O/c1-4-5-11(6-7-18)9-15-12-10(2)8-16-13(14-3)17-12/h8,11,18H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyJMROPWZHNMJFOR-UHFFFAOYSA-N
XLogP2.04
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118528
1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80780223
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113783
3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol
CID 103705127
3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116858
2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 115366501
4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80835831
4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117
3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
CID 106118510
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118660

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol (CID 106118514) is 3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nc(NC)ncc1C.
What is the InChIKey of 3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol?
The InChIKey is JMROPWZHNMJFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-5-11(6-7-18)9-15-12-10(2)8-16-13(14-3)17-12/h8,11,18H,4-7,9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol?
3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol is sourced from PubChem (CID 106118514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).