6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine

C23H25N7O2 — CID 56949458

IUPAC6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCOc1nc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)nc(NCc2cnn(C)c2)c1C
InChIInChI=1S/C23H25N7O2/c1-14-21(25-10-15-11-26-30(2)12-15)28-23(29-22(14)31-3)32-13-16-9-17(16)18-6-7-19-20(27-18)5-4-8-24-19/h4-8,11-12,16-17H,9-10,13H2,1-3H3,(H,25,28,29)/t16-,17+/m1/s1
InChIKeyDTVOGHZNBWTEJY-SJORKVTESA-N
MW431.50 g/mol
LogP3.26
Rot. Bonds8

About 6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine

6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 56949458) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID56949458
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCOc1nc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)nc(NCc2cnn(C)c2)c1C
InChIInChI=1S/C23H25N7O2/c1-14-21(25-10-15-11-26-30(2)12-15)28-23(29-22(14)31-3)32-13-16-9-17(16)18-6-7-19-20(27-18)5-4-8-24-19/h4-8,11-12,16-17H,9-10,13H2,1-3H3,(H,25,28,29)/t16-,17+/m1/s1
InChIKeyDTVOGHZNBWTEJY-SJORKVTESA-N
XLogP3.26
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine (CID 56949458) is 6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine is COc1nc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)nc(NCc2cnn(C)c2)c1C.
What is the InChIKey of 6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is DTVOGHZNBWTEJY-SJORKVTESA-N. The full InChI is InChI=1S/C23H25N7O2/c1-14-21(25-10-15-11-26-30(2)12-15)28-23(29-22(14)31-3)32-13-16-9-17(16)18-6-7-19-20(27-18)5-4-8-24-19/h4-8,11-12,16-17H,9-10,13H2,1-3H3,(H,25,28,29)/t16-,17+/m1/s1.
What are the key properties of 6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 431.50 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 56949458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).