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

C8H13ClN4O2 — CID 106198768

IUPAC2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1nc(N)ncc1Cl
InChIInChI=1S/C8H13ClN4O2/c1-15-4-5(3-14)12-7-6(9)2-11-8(10)13-7/h2,5,14H,3-4H2,1H3,(H3,10,11,12,13)
InChIKeyVCVKDHXICXKDIB-UHFFFAOYSA-N
MW232.67 g/mol
LogP0.13
Rot. Bonds5

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

2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol (PubChem CID 106198768) has the molecular formula C8H13ClN4O2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol
PubChem CID106198768
Molecular FormulaC8H13ClN4O2
Molecular Weight232.67 g/mol
Exact Mass232.07
IUPAC Name2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1nc(N)ncc1Cl
InChIInChI=1S/C8H13ClN4O2/c1-15-4-5(3-14)12-7-6(9)2-11-8(10)13-7/h2,5,14H,3-4H2,1H3,(H3,10,11,12,13)
InChIKeyVCVKDHXICXKDIB-UHFFFAOYSA-N
XLogP0.13
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80785811
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106157779
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248716
5-chloro-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxypyrimidin-4-amine
CID 106181795
3-N-(5-chloro-2-methoxypyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 114151024
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 114157121
3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106153927
2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184186
2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 79632585
2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106184118
2-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184124
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366556

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol (CID 106198768) is 2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1nc(N)ncc1Cl.
What is the InChIKey of 2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is VCVKDHXICXKDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2/c1-15-4-5(3-14)12-7-6(9)2-11-8(10)13-7/h2,5,14H,3-4H2,1H3,(H3,10,11,12,13).
What are the key properties of 2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 232.67 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106198768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).