4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one

C19H24N6O2 — CID 89457724

IUPAC4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one
SMILESO=C1CCc2nc(N3CCC(c4cnc[nH]4)CC3)nc(NC3(CO)CC3)c21
InChIInChI=1S/C19H24N6O2/c26-10-19(5-6-19)24-17-16-13(1-2-15(16)27)22-18(23-17)25-7-3-12(4-8-25)14-9-20-11-21-14/h9,11-12,26H,1-8,10H2,(H,20,21)(H,22,23,24)
InChIKeyHSHPZTBJTIWPBO-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.65
Rot. Bonds5

About 4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one

4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one (PubChem CID 89457724) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one
PubChem CID89457724
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one
SMILESO=C1CCc2nc(N3CCC(c4cnc[nH]4)CC3)nc(NC3(CO)CC3)c21
InChIInChI=1S/C19H24N6O2/c26-10-19(5-6-19)24-17-16-13(1-2-15(16)27)22-18(23-17)25-7-3-12(4-8-25)14-9-20-11-21-14/h9,11-12,26H,1-8,10H2,(H,20,21)(H,22,23,24)
InChIKeyHSHPZTBJTIWPBO-UHFFFAOYSA-N
XLogP1.65
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one (CID 89457724) is 4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one is O=C1CCc2nc(N3CCC(c4cnc[nH]4)CC3)nc(NC3(CO)CC3)c21.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one?
The InChIKey is HSHPZTBJTIWPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-10-19(5-6-19)24-17-16-13(1-2-15(16)27)22-18(23-17)25-7-3-12(4-8-25)14-9-20-11-21-14/h9,11-12,26H,1-8,10H2,(H,20,21)(H,22,23,24).
What are the key properties of 4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one?
4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one has a molecular weight of 368.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-[4-(1H-imidazol-5-yl)piperidin-1-yl]-6,7-dihydrocyclopenta[d]pyrimidin-5-one is sourced from PubChem (CID 89457724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).