5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one

C20H24N6O — CID 130446801

IUPAC5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one
SMILESCN(C)C1CCC(Nc2ncnc3ccc(-c4cnc(=O)[nH]c4)cc23)CC1
InChIInChI=1S/C20H24N6O/c1-26(2)16-6-4-15(5-7-16)25-19-17-9-13(3-8-18(17)23-12-24-19)14-10-21-20(27)22-11-14/h3,8-12,15-16H,4-7H2,1-2H3,(H,21,22,27)(H,23,24,25)
InChIKeyDDYIRFUPYKDPCU-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.66
Rot. Bonds4

About 5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one

5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one (PubChem CID 130446801) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one
PubChem CID130446801
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one
SMILESCN(C)C1CCC(Nc2ncnc3ccc(-c4cnc(=O)[nH]c4)cc23)CC1
InChIInChI=1S/C20H24N6O/c1-26(2)16-6-4-15(5-7-16)25-19-17-9-13(3-8-18(17)23-12-24-19)14-10-21-20(27)22-11-14/h3,8-12,15-16H,4-7H2,1-2H3,(H,21,22,27)(H,23,24,25)
InChIKeyDDYIRFUPYKDPCU-UHFFFAOYSA-N
XLogP2.66
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one?
The IUPAC name of 5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one (CID 130446801) is 5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one is CN(C)C1CCC(Nc2ncnc3ccc(-c4cnc(=O)[nH]c4)cc23)CC1.
What is the InChIKey of 5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one?
The InChIKey is DDYIRFUPYKDPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-26(2)16-6-4-15(5-7-16)25-19-17-9-13(3-8-18(17)23-12-24-19)14-10-21-20(27)22-11-14/h3,8-12,15-16H,4-7H2,1-2H3,(H,21,22,27)(H,23,24,25).
What are the key properties of 5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one?
5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 130446801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).