2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine

C20H31ClN6O6 — CID 159220680

About 2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine

2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine (PubChem CID 159220680) has the molecular formula C20H31ClN6O6 and a molecular weight of 486.96 g/mol. Its IUPAC name is 2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine
• PubChem CID: 159220680
• Molecular Formula: C20H31ClN6O6
• Molecular Weight: 486.96 g/mol
• Exact Mass: 486.20
• IUPAC Name: 2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine
• SMILES: CC1(C)OC[C@@H](CO)O1.CC1(C)OC[C@@H](COc2ncc(N)cn2)O1.Nc1cnc(Cl)nc1
• InChI: InChI=1S/C10H15N3O3.C6H12O3.C4H4ClN3/c1-10(2)15-6-8(16-10)5-14-9-12-3-7(11)4-13-9;1-6(2)8-4-5(3-7)9-6;5-4-7-1-3(6)2-8-4/h3-4,8H,5-6,11H2,1-2H3;5,7H,3-4H2,1-2H3;1-2H,6H2/t8-;5-;/m11./s1
• InChIKey: KRQIFZJTHBKOKG-GEKKSZSWSA-N
• XLogP: 1.43
• TPSA: 169.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.96
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine?

The IUPAC name of 2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine (CID 159220680) is 2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine.

What is the SMILES notation for 2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine?

The canonical SMILES for 2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine is CC1(C)OC[C@@H](CO)O1.CC1(C)OC[C@@H](COc2ncc(N)cn2)O1.Nc1cnc(Cl)nc1.

What is the InChIKey of 2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine?

The InChIKey is KRQIFZJTHBKOKG-GEKKSZSWSA-N. The full InChI is InChI=1S/C10H15N3O3.C6H12O3.C4H4ClN3/c1-10(2)15-6-8(16-10)5-14-9-12-3-7(11)4-13-9;1-6(2)8-4-5(3-7)9-6;5-4-7-1-3(6)2-8-4/h3-4,8H,5-6,11H2,1-2H3;5,7H,3-4H2,1-2H3;1-2H,6H2/t8-;5-;/m11./s1.

What are the key properties of 2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine?

2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine has a molecular weight of 486.96 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine is sourced from PubChem (CID 159220680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).