2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C18H20N4O3 — CID 137275509

IUPAC2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCC(C)(O)c3ccco3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C18H20N4O3/c1-11-12(2)21-16(22-17(11)23)13-6-7-15(19-9-13)20-10-18(3,24)14-5-4-8-25-14/h4-9,24H,10H2,1-3H3,(H,19,20)(H,21,22,23)
InChIKeyYBRCMPUYVRJMKI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.36
Rot. Bonds5

About 2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137275509) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137275509
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCC(C)(O)c3ccco3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C18H20N4O3/c1-11-12(2)21-16(22-17(11)23)13-6-7-15(19-9-13)20-10-18(3,24)14-5-4-8-25-14/h4-9,24H,10H2,1-3H3,(H,19,20)(H,21,22,23)
InChIKeyYBRCMPUYVRJMKI-UHFFFAOYSA-N
XLogP2.36
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137275509) is 2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(NCC(C)(O)c3ccco3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is YBRCMPUYVRJMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-12(2)21-16(22-17(11)23)13-6-7-15(19-9-13)20-10-18(3,24)14-5-4-8-25-14/h4-9,24H,10H2,1-3H3,(H,19,20)(H,21,22,23).
What are the key properties of 2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 340.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137275509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).