6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine

C11H13ClN4O2 — CID 87695392

IUPAC6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine
SMILESCC[C@H](OC)Oc1nc(N)nc2ccc(Cl)nc12
InChIInChI=1S/C11H13ClN4O2/c1-3-8(17-2)18-10-9-6(14-11(13)16-10)4-5-7(12)15-9/h4-5,8H,3H2,1-2H3,(H2,13,14,16)/t8-/m1/s1
InChIKeyHBVLFVYTDMOHFF-MRVPVSSYSA-N
MW268.70 g/mol
LogP2.02
Rot. Bonds4

About 6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine

6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 87695392) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine
PubChem CID87695392
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine
SMILESCC[C@H](OC)Oc1nc(N)nc2ccc(Cl)nc12
InChIInChI=1S/C11H13ClN4O2/c1-3-8(17-2)18-10-9-6(14-11(13)16-10)4-5-7(12)15-9/h4-5,8H,3H2,1-2H3,(H2,13,14,16)/t8-/m1/s1
InChIKeyHBVLFVYTDMOHFF-MRVPVSSYSA-N
XLogP2.02
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine (CID 87695392) is 6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine is CC[C@H](OC)Oc1nc(N)nc2ccc(Cl)nc12.
What is the InChIKey of 6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is HBVLFVYTDMOHFF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-3-8(17-2)18-10-9-6(14-11(13)16-10)4-5-7(12)15-9/h4-5,8H,3H2,1-2H3,(H2,13,14,16)/t8-/m1/s1.
What are the key properties of 6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine?
6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 268.70 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(1R)-1-methoxypropoxy]pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 87695392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).