3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol

C10H16ClN3O3 — CID 106157779

IUPAC3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc(OC)ncc1Cl
InChIInChI=1S/C10H16ClN3O3/c1-16-6-7(3-4-15)13-9-8(11)5-12-10(14-9)17-2/h5,7,15H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyCJDJWUYCSXTNCT-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.95
Rot. Bonds7

About 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol

3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol (PubChem CID 106157779) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol
PubChem CID106157779
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc(OC)ncc1Cl
InChIInChI=1S/C10H16ClN3O3/c1-16-6-7(3-4-15)13-9-8(11)5-12-10(14-9)17-2/h5,7,15H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyCJDJWUYCSXTNCT-UHFFFAOYSA-N
XLogP0.95
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(5-chloro-2-methoxypyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 114151024
5-chloro-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxypyrimidin-4-amine
CID 106181795
2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198768
3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106153927
5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine
CID 113368832
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-4-methoxybutan-1-ol
CID 106163074
3-[(2-chloro-7H-purin-6-yl)amino]-4-methoxybutan-1-ol
CID 114152161
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938019
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 80758540
5-chloro-2-methoxy-N-pent-1-yn-3-ylpyrimidin-4-amine
CID 106231241

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol (CID 106157779) is 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol is COCC(CCO)Nc1nc(OC)ncc1Cl.
What is the InChIKey of 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The InChIKey is CJDJWUYCSXTNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-16-6-7(3-4-15)13-9-8(11)5-12-10(14-9)17-2/h5,7,15H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol has a molecular weight of 261.71 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106157779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).