2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine

C19H26N4 — CID 142474384

IUPAC2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
SMILESC[C@@H](Nc1nc(NCC2CCCC2)nc2ccccc12)C1CC1
InChIInChI=1S/C19H26N4/c1-13(15-10-11-15)21-18-16-8-4-5-9-17(16)22-19(23-18)20-12-14-6-2-3-7-14/h4-5,8-9,13-15H,2-3,6-7,10-12H2,1H3,(H2,20,21,22,23)/t13-/m1/s1
InChIKeyCTSQIYPYHYKICA-CYBMUJFWSA-N
MW310.44 g/mol
LogP4.44
Rot. Bonds6

About 2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine

2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine (PubChem CID 142474384) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
PubChem CID142474384
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
SMILESC[C@@H](Nc1nc(NCC2CCCC2)nc2ccccc12)C1CC1
InChIInChI=1S/C19H26N4/c1-13(15-10-11-15)21-18-16-8-4-5-9-17(16)22-19(23-18)20-12-14-6-2-3-7-14/h4-5,8-9,13-15H,2-3,6-7,10-12H2,1H3,(H2,20,21,22,23)/t13-/m1/s1
InChIKeyCTSQIYPYHYKICA-CYBMUJFWSA-N
XLogP4.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine (CID 142474384) is 2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine is C[C@@H](Nc1nc(NCC2CCCC2)nc2ccccc12)C1CC1.
What is the InChIKey of 2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine?
The InChIKey is CTSQIYPYHYKICA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N4/c1-13(15-10-11-15)21-18-16-8-4-5-9-17(16)22-19(23-18)20-12-14-6-2-3-7-14/h4-5,8-9,13-15H,2-3,6-7,10-12H2,1H3,(H2,20,21,22,23)/t13-/m1/s1.
What are the key properties of 2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine?
2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine has a molecular weight of 310.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 142474384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).