1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea

C20H27N5O3 — CID 97155964

IUPAC1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea
SMILESO=C(NCc1ccco1)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21
InChIInChI=1S/C20H27N5O3/c26-13-14-6-8-25(9-7-14)19-21-12-16-17(23-19)4-1-5-18(16)24-20(27)22-11-15-3-2-10-28-15/h2-3,10,12,14,18,26H,1,4-9,11,13H2,(H2,22,24,27)/t18-/m0/s1
InChIKeyUHXCNKIURZPITO-SFHVURJKSA-N
MW385.47 g/mol
LogP2.16
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea

1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea (PubChem CID 97155964) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea
PubChem CID97155964
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea
SMILESO=C(NCc1ccco1)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21
InChIInChI=1S/C20H27N5O3/c26-13-14-6-8-25(9-7-14)19-21-12-16-17(23-19)4-1-5-18(16)24-20(27)22-11-15-3-2-10-28-15/h2-3,10,12,14,18,26H,1,4-9,11,13H2,(H2,22,24,27)/t18-/m0/s1
InChIKeyUHXCNKIURZPITO-SFHVURJKSA-N
XLogP2.16
TPSA103.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[5-(3-methylsulfanylpropylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 45250377
[1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 45216602
1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
2-(3-fluorophenyl)-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 110237952
1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-(furan-2-ylmethyl)urea
CID 71909131
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-2-carboxamide
CID 95740666
3-(furan-2-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 56731447
1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
CID 128975594
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-(furan-2-ylmethyl)urea
CID 75377793
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254907

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea (CID 97155964) is 1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea is O=C(NCc1ccco1)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea?
The InChIKey is UHXCNKIURZPITO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-13-14-6-8-25(9-7-14)19-21-12-16-17(23-19)4-1-5-18(16)24-20(27)22-11-15-3-2-10-28-15/h2-3,10,12,14,18,26H,1,4-9,11,13H2,(H2,22,24,27)/t18-/m0/s1.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea?
1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea has a molecular weight of 385.47 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]urea is sourced from PubChem (CID 97155964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).