2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile

C18H20N8O — CID 171358783

IUPAC2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile
SMILESCn1cc(Nc2nc(NC3CCOCC3)c3nc(CC#N)ccc3n2)cn1
InChIInChI=1S/C18H20N8O/c1-26-11-14(10-20-26)23-18-24-15-3-2-12(4-7-19)21-16(15)17(25-18)22-13-5-8-27-9-6-13/h2-3,10-11,13H,4-6,8-9H2,1H3,(H2,22,23,24,25)
InChIKeyMWCZZMKIONRYDB-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.16
Rot. Bonds5

About 2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile

2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile (PubChem CID 171358783) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile
PubChem CID171358783
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile
SMILESCn1cc(Nc2nc(NC3CCOCC3)c3nc(CC#N)ccc3n2)cn1
InChIInChI=1S/C18H20N8O/c1-26-11-14(10-20-26)23-18-24-15-3-2-12(4-7-19)21-16(15)17(25-18)22-13-5-8-27-9-6-13/h2-3,10-11,13H,4-6,8-9H2,1H3,(H2,22,23,24,25)
InChIKeyMWCZZMKIONRYDB-UHFFFAOYSA-N
XLogP2.16
TPSA113.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile?
The IUPAC name of 2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile (CID 171358783) is 2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile.
What is the SMILES notation for 2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile?
The canonical SMILES for 2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile is Cn1cc(Nc2nc(NC3CCOCC3)c3nc(CC#N)ccc3n2)cn1.
What is the InChIKey of 2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile?
The InChIKey is MWCZZMKIONRYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-26-11-14(10-20-26)23-18-24-15-3-2-12(4-7-19)21-16(15)17(25-18)22-13-5-8-27-9-6-13/h2-3,10-11,13H,4-6,8-9H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile?
2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile has a molecular weight of 364.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpyrazol-4-yl)amino]-4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]acetonitrile is sourced from PubChem (CID 171358783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).