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

C17H22N6 — CID 126853561

IUPACN-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESc1cnc(NC2CCN(c3ncnc4c3CCCC4)CC2)nc1
InChIInChI=1S/C17H22N6/c1-2-5-15-14(4-1)16(21-12-20-15)23-10-6-13(7-11-23)22-17-18-8-3-9-19-17/h3,8-9,12-13H,1-2,4-7,10-11H2,(H,18,19,22)
InChIKeyUMBKWOAVRGCPBE-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.23
Rot. Bonds3

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

N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 126853561) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID126853561
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC NameN-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESc1cnc(NC2CCN(c3ncnc4c3CCCC4)CC2)nc1
InChIInChI=1S/C17H22N6/c1-2-5-15-14(4-1)16(21-12-20-15)23-10-6-13(7-11-23)22-17-18-8-3-9-19-17/h3,8-9,12-13H,1-2,4-7,10-11H2,(H,18,19,22)
InChIKeyUMBKWOAVRGCPBE-UHFFFAOYSA-N
XLogP2.23
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine (CID 126853561) is N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine is c1cnc(NC2CCN(c3ncnc4c3CCCC4)CC2)nc1.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is UMBKWOAVRGCPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-2-5-15-14(4-1)16(21-12-20-15)23-10-6-13(7-11-23)22-17-18-8-3-9-19-17/h3,8-9,12-13H,1-2,4-7,10-11H2,(H,18,19,22).
What are the key properties of N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine?
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 310.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 126853561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).