3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol

C15H28N4O2 — CID 106179082

IUPAC3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
SMILESCCCNc1cc(NC(C)(CC)CCO)nc(COC)n1
InChIInChI=1S/C15H28N4O2/c1-5-8-16-12-10-13(18-14(17-12)11-21-4)19-15(3,6-2)7-9-20/h10,20H,5-9,11H2,1-4H3,(H2,16,17,18,19)
InChIKeyKDGAVPVZLVIOIK-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.41
Rot. Bonds10

About 3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol

3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol (PubChem CID 106179082) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
PubChem CID106179082
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
SMILESCCCNc1cc(NC(C)(CC)CCO)nc(COC)n1
InChIInChI=1S/C15H28N4O2/c1-5-8-16-12-10-13(18-14(17-12)11-21-4)19-15(3,6-2)7-9-20/h10,20H,5-9,11H2,1-4H3,(H2,16,17,18,19)
InChIKeyKDGAVPVZLVIOIK-UHFFFAOYSA-N
XLogP2.41
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179075
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179231
3-[2-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311652
4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163010
4-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149886
4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
CID 104830551
2-(methoxymethyl)-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433968
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179255
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296318

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol (CID 106179082) is 3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol is CCCNc1cc(NC(C)(CC)CCO)nc(COC)n1.
What is the InChIKey of 3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
The InChIKey is KDGAVPVZLVIOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-5-8-16-12-10-13(18-14(17-12)11-21-4)19-15(3,6-2)7-9-20/h10,20H,5-9,11H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol has a molecular weight of 296.42 g/mol, XLogP of 2.41, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106179082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).