2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol

C9H16N4O3 — CID 106184118

IUPAC2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ncnc(OC)c1N
InChIInChI=1S/C9H16N4O3/c1-15-4-6(3-14)13-8-7(10)9(16-2)12-5-11-8/h5-6,14H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyKDQHEAQOQWCAIQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.51
Rot. Bonds6

About 2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol

2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol (PubChem CID 106184118) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
PubChem CID106184118
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ncnc(OC)c1N
InChIInChI=1S/C9H16N4O3/c1-15-4-6(3-14)13-8-7(10)9(16-2)12-5-11-8/h5-6,14H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyKDQHEAQOQWCAIQ-UHFFFAOYSA-N
XLogP-0.51
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198795
2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198983
4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine
CID 114150985
4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455271
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106192405
2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184186
2-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184124
4-chloro-6-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrimidine-5-carbaldehyde
CID 106192408
6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
CID 114615244
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114212305

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol (CID 106184118) is 2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1ncnc(OC)c1N.
What is the InChIKey of 2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is KDQHEAQOQWCAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-15-4-6(3-14)13-8-7(10)9(16-2)12-5-11-8/h5-6,14H,3-4,10H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 228.25 g/mol, XLogP of -0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106184118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).