2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol

C11H20N4O3 — CID 106198708

IUPAC2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
SMILESCCOCc1nc(N)cc(NC(CO)COC)n1
InChIInChI=1S/C11H20N4O3/c1-3-18-7-11-14-9(12)4-10(15-11)13-8(5-16)6-17-2/h4,8,16H,3,5-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyDBQWRGYXVBRHSJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.01
Rot. Bonds8

About 2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol

2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol (PubChem CID 106198708) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
PubChem CID106198708
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
SMILESCCOCc1nc(N)cc(NC(CO)COC)n1
InChIInChI=1S/C11H20N4O3/c1-3-18-7-11-14-9(12)4-10(15-11)13-8(5-16)6-17-2/h4,8,16H,3,5-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyDBQWRGYXVBRHSJ-UHFFFAOYSA-N
XLogP0.01
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol with MolForge

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Related Compounds

2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 113401520
2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114211195
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 114157114
2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine
CID 113495337
2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 114174651
1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159530
3-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]propanamide
CID 113401379
4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163010
4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
CID 113401294
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol (CID 106198708) is 2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol is CCOCc1nc(N)cc(NC(CO)COC)n1.
What is the InChIKey of 2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol?
The InChIKey is DBQWRGYXVBRHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-3-18-7-11-14-9(12)4-10(15-11)13-8(5-16)6-17-2/h4,8,16H,3,5-7H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol?
2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol has a molecular weight of 256.31 g/mol, XLogP of 0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106198708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).