1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol

C15H28N4O2 — CID 106248740

IUPAC1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCCNc1cc(NCCC(O)COC)nc(CCC)n1
InChIInChI=1S/C15H28N4O2/c1-4-6-13-18-14(16-8-5-2)10-15(19-13)17-9-7-12(20)11-21-3/h10,12,20H,4-9,11H2,1-3H3,(H2,16,17,18,19)
InChIKeyMLQWRNXLFKSMEO-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.06
Rot. Bonds11

About 1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol

1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol (PubChem CID 106248740) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
PubChem CID106248740
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCCNc1cc(NCCC(O)COC)nc(CCC)n1
InChIInChI=1S/C15H28N4O2/c1-4-6-13-18-14(16-8-5-2)10-15(19-13)17-9-7-12(20)11-21-3/h10,12,20H,4-9,11H2,1-3H3,(H2,16,17,18,19)
InChIKeyMLQWRNXLFKSMEO-UHFFFAOYSA-N
XLogP2.06
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol with MolForge

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Related Compounds

4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248639
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80954748
6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
CID 80947939
2-[2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241892
4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80949730
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile
CID 106248382
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163010

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol (CID 106248740) is 1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol is CCCNc1cc(NCCC(O)COC)nc(CCC)n1.
What is the InChIKey of 1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is MLQWRNXLFKSMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-4-6-13-18-14(16-8-5-2)10-15(19-13)17-9-7-12(20)11-21-3/h10,12,20H,4-9,11H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol?
1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 2.06, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 106248740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).