N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine

C19H22N4 — CID 59389582

IUPACN-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
SMILESCC[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)C(C)C
InChIInChI=1S/C19H22N4/c1-4-16(13(2)3)21-19-15-7-5-6-8-17(15)22-18(23-19)14-9-11-20-12-10-14/h5-13,16H,4H2,1-3H3,(H,21,22,23)/t16-/m1/s1
InChIKeyXXXXRBHFYJZAIV-MRXNPFEDSA-N
MW306.41 g/mol
LogP4.54
Rot. Bonds5

About N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine

N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 59389582) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
PubChem CID59389582
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
SMILESCC[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)C(C)C
InChIInChI=1S/C19H22N4/c1-4-16(13(2)3)21-19-15-7-5-6-8-17(15)22-18(23-19)14-9-11-20-12-10-14/h5-13,16H,4H2,1-3H3,(H,21,22,23)/t16-/m1/s1
InChIKeyXXXXRBHFYJZAIV-MRXNPFEDSA-N
XLogP4.54
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine (CID 59389582) is N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine is CC[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)C(C)C.
What is the InChIKey of N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is XXXXRBHFYJZAIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4/c1-4-16(13(2)3)21-19-15-7-5-6-8-17(15)22-18(23-19)14-9-11-20-12-10-14/h5-13,16H,4H2,1-3H3,(H,21,22,23)/t16-/m1/s1.
What are the key properties of N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine?
N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 306.41 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 59389582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).