4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol

C13H22N4O2 — CID 81132040

IUPAC4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol
SMILESCCCNc1nccc(NCC2(O)CCOCC2)n1
InChIInChI=1S/C13H22N4O2/c1-2-6-14-12-15-7-3-11(17-12)16-10-13(18)4-8-19-9-5-13/h3,7,18H,2,4-6,8-10H2,1H3,(H2,14,15,16,17)
InChIKeyNPUFQCFGYYABDO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.25
Rot. Bonds6

About 4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol

4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol (PubChem CID 81132040) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol
PubChem CID81132040
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol
SMILESCCCNc1nccc(NCC2(O)CCOCC2)n1
InChIInChI=1S/C13H22N4O2/c1-2-6-14-12-15-7-3-11(17-12)16-10-13(18)4-8-19-9-5-13/h3,7,18H,2,4-6,8-10H2,1H3,(H2,14,15,16,17)
InChIKeyNPUFQCFGYYABDO-UHFFFAOYSA-N
XLogP1.25
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 114102533
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine
CID 105420883
4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80838837
4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80797541
4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81132046
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457191
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 79839410
4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797099
4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132043
3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol
CID 103847712
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol (CID 81132040) is 4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol is CCCNc1nccc(NCC2(O)CCOCC2)n1.
What is the InChIKey of 4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol?
The InChIKey is NPUFQCFGYYABDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-6-14-12-15-7-3-11(17-12)16-10-13(18)4-8-19-9-5-13/h3,7,18H,2,4-6,8-10H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol?
4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol has a molecular weight of 266.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81132040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).