N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C17H22FN7O2 — CID 118369756

About N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 118369756) has the molecular formula C17H22FN7O2 and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
• PubChem CID: 118369756
• Molecular Formula: C17H22FN7O2
• Molecular Weight: 375.41 g/mol
• Exact Mass: 375.18
• IUPAC Name: N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
• SMILES: C[C@@H](CO)Nc1ncc2c(n1)CN(C(=O)NCc1cnc(CF)nc1)CC2
• InChI: InChI=1S/C17H22FN7O2/c1-11(10-26)23-16-21-8-13-2-3-25(9-14(13)24-16)17(27)22-7-12-5-19-15(4-18)20-6-12/h5-6,8,11,26H,2-4,7,9-10H2,1H3,(H,22,27)(H,21,23,24)/t11-/m0/s1
• InChIKey: RBOLBBNLLRPPGX-NSHDSACASA-N
• XLogP: 0.80
• TPSA: 116.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.41
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?

The IUPAC name of N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 118369756) is N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

What is the SMILES notation for N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?

The canonical SMILES for N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is C[C@@H](CO)Nc1ncc2c(n1)CN(C(=O)NCc1cnc(CF)nc1)CC2.

What is the InChIKey of N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?

The InChIKey is RBOLBBNLLRPPGX-NSHDSACASA-N. The full InChI is InChI=1S/C17H22FN7O2/c1-11(10-26)23-16-21-8-13-2-3-25(9-14(13)24-16)17(27)22-7-12-5-19-15(4-18)20-6-12/h5-6,8,11,26H,2-4,7,9-10H2,1H3,(H,22,27)(H,21,23,24)/t11-/m0/s1.

What are the key properties of N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?

N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 118369756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).