1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol

C11H17ClN4O2 — CID 47089938

IUPAC1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
SMILESNc1nc(Cl)cc(NCC(O)COCC2CC2)n1
InChIInChI=1S/C11H17ClN4O2/c12-9-3-10(16-11(13)15-9)14-4-8(17)6-18-5-7-1-2-7/h3,7-8,17H,1-2,4-6H2,(H3,13,14,15,16)
InChIKeyCUQGTVQBSPFHOE-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.91
Rot. Bonds7

About 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol

1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol (PubChem CID 47089938) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
PubChem CID47089938
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
SMILESNc1nc(Cl)cc(NCC(O)COCC2CC2)n1
InChIInChI=1S/C11H17ClN4O2/c12-9-3-10(16-11(13)15-9)14-4-8(17)6-18-5-7-1-2-7/h3,7-8,17H,1-2,4-6H2,(H3,13,14,15,16)
InChIKeyCUQGTVQBSPFHOE-UHFFFAOYSA-N
XLogP0.91
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol?
The IUPAC name of 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol (CID 47089938) is 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol is Nc1nc(Cl)cc(NCC(O)COCC2CC2)n1.
What is the InChIKey of 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol?
The InChIKey is CUQGTVQBSPFHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c12-9-3-10(16-11(13)15-9)14-4-8(17)6-18-5-7-1-2-7/h3,7-8,17H,1-2,4-6H2,(H3,13,14,15,16).
What are the key properties of 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol?
1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol has a molecular weight of 272.74 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 47089938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).