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

C14H26N4O3 — CID 106163010

IUPAC4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1cc(NC(CCO)COC)nc(COC)n1
InChIInChI=1S/C14H26N4O3/c1-4-6-15-12-8-13(18-14(17-12)10-21-3)16-11(5-7-19)9-20-2/h8,11,19H,4-7,9-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyQQLQFBDHCXBSKG-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.25
Rot. Bonds11

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

4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 106163010) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID106163010
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1cc(NC(CCO)COC)nc(COC)n1
InChIInChI=1S/C14H26N4O3/c1-4-6-15-12-8-13(18-14(17-12)10-21-3)16-11(5-7-19)9-20-2/h8,11,19H,4-7,9-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyQQLQFBDHCXBSKG-UHFFFAOYSA-N
XLogP1.25
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163156
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267
4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
CID 104830551
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 113401520
3-[2-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311652
3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179082
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-4-methoxybutan-1-ol
CID 106163074
3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157111
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 106163010) is 4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is CCCNc1cc(NC(CCO)COC)nc(COC)n1.
What is the InChIKey of 4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is QQLQFBDHCXBSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-4-6-15-12-8-13(18-14(17-12)10-21-3)16-11(5-7-19)9-20-2/h8,11,19H,4-7,9-10H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 298.39 g/mol, XLogP of 1.25, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 106163010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).