4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine

C21H27N7 — CID 46988686

IUPAC4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine
SMILESCCCn1cc(-c2ccnc(NCc3nc(C)c4c(n3)CCCC4)n2)c(C)n1
InChIInChI=1S/C21H27N7/c1-4-11-28-13-17(15(3)27-28)19-9-10-22-21(26-19)23-12-20-24-14(2)16-7-5-6-8-18(16)25-20/h9-10,13H,4-8,11-12H2,1-3H3,(H,22,23,26)
InChIKeyAGSJMSOSYSWROL-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.65
Rot. Bonds6

About 4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine

4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine (PubChem CID 46988686) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is 4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine
PubChem CID46988686
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC Name4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine
SMILESCCCn1cc(-c2ccnc(NCc3nc(C)c4c(n3)CCCC4)n2)c(C)n1
InChIInChI=1S/C21H27N7/c1-4-11-28-13-17(15(3)27-28)19-9-10-22-21(26-19)23-12-20-24-14(2)16-7-5-6-8-18(16)25-20/h9-10,13H,4-8,11-12H2,1-3H3,(H,22,23,26)
InChIKeyAGSJMSOSYSWROL-UHFFFAOYSA-N
XLogP3.65
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine (CID 46988686) is 4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine is CCCn1cc(-c2ccnc(NCc3nc(C)c4c(n3)CCCC4)n2)c(C)n1.
What is the InChIKey of 4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is AGSJMSOSYSWROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7/c1-4-11-28-13-17(15(3)27-28)19-9-10-22-21(26-19)23-12-20-24-14(2)16-7-5-6-8-18(16)25-20/h9-10,13H,4-8,11-12H2,1-3H3,(H,22,23,26).
What are the key properties of 4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine?
4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 377.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 46988686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).