4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline

C19H25N5O — CID 133460365

IUPAC4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
SMILESCOc1ccnc(N2CCN(c3nc(C)nc4c3CCCC4)CC2)c1
InChIInChI=1S/C19H25N5O/c1-14-21-17-6-4-3-5-16(17)19(22-14)24-11-9-23(10-12-24)18-13-15(25-2)7-8-20-18/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyVQHFHKDIDGEYIF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.39
Rot. Bonds3

About 4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline

4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 133460365) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
PubChem CID133460365
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
SMILESCOc1ccnc(N2CCN(c3nc(C)nc4c3CCCC4)CC2)c1
InChIInChI=1S/C19H25N5O/c1-14-21-17-6-4-3-5-16(17)19(22-14)24-11-9-23(10-12-24)18-13-15(25-2)7-8-20-18/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyVQHFHKDIDGEYIF-UHFFFAOYSA-N
XLogP2.39
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 133461049
N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 133461061
4-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460856
N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 155981005
4-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133472715
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
2-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 155798318
2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 133472466
4-[5-(5-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155974534
4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155974552
4-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460876
2-methyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 126931918

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline (CID 133460365) is 4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline is COc1ccnc(N2CCN(c3nc(C)nc4c3CCCC4)CC2)c1.
What is the InChIKey of 4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is VQHFHKDIDGEYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-21-17-6-4-3-5-16(17)19(22-14)24-11-9-23(10-12-24)18-13-15(25-2)7-8-20-18/h7-8,13H,3-6,9-12H2,1-2H3.
What are the key properties of 4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline?
4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 339.44 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 133460365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).