2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one

C22H24FN5O3 — CID 58448661

IUPAC2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3cnc(OCC4CC4)cn3)ccc2F)N=C1N
InChIInChI=1S/C22H24FN5O3/c1-22(9-20(30)28(2)21(24)27-22)15-7-14(5-6-16(15)23)8-18(29)17-10-26-19(11-25-17)31-12-13-3-4-13/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H2,24,27)
InChIKeyRUNLHPQJNPWYPK-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.22
Rot. Bonds7

About 2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 58448661) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID58448661
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3cnc(OCC4CC4)cn3)ccc2F)N=C1N
InChIInChI=1S/C22H24FN5O3/c1-22(9-20(30)28(2)21(24)27-22)15-7-14(5-6-16(15)23)8-18(29)17-10-26-19(11-25-17)31-12-13-3-4-13/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H2,24,27)
InChIKeyRUNLHPQJNPWYPK-UHFFFAOYSA-N
XLogP2.22
TPSA110.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 58448661) is 2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)CC(C)(c2cc(CC(=O)c3cnc(OCC4CC4)cn3)ccc2F)N=C1N.
What is the InChIKey of 2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is RUNLHPQJNPWYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-22(9-20(30)28(2)21(24)27-22)15-7-14(5-6-16(15)23)8-18(29)17-10-26-19(11-25-17)31-12-13-3-4-13/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H2,24,27).
What are the key properties of 2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 425.46 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-[2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 58448661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).