4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine

C14H18N4 — CID 80770778

IUPAC4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
SMILESCCNc1nc(NCC2CC2)c2ccccc2n1
InChIInChI=1S/C14H18N4/c1-2-15-14-17-12-6-4-3-5-11(12)13(18-14)16-9-10-7-8-10/h3-6,10H,2,7-9H2,1H3,(H2,15,16,17,18)
InChIKeyNUFULZCVOTVWPU-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.88
Rot. Bonds5

About 4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine

4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine (PubChem CID 80770778) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
PubChem CID80770778
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
SMILESCCNc1nc(NCC2CC2)c2ccccc2n1
InChIInChI=1S/C14H18N4/c1-2-15-14-17-12-6-4-3-5-11(12)13(18-14)16-9-10-7-8-10/h3-6,10H,2,7-9H2,1H3,(H2,15,16,17,18)
InChIKeyNUFULZCVOTVWPU-UHFFFAOYSA-N
XLogP2.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
4-N-[(4-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 80828289
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80775529
2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
CID 80853828
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 142474384
4-[[[4-[2-(diethylamino)ethylamino]quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 67719987

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine (CID 80770778) is 4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine is CCNc1nc(NCC2CC2)c2ccccc2n1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine?
The InChIKey is NUFULZCVOTVWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-15-14-17-12-6-4-3-5-11(12)13(18-14)16-9-10-7-8-10/h3-6,10H,2,7-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine?
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine is sourced from PubChem (CID 80770778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).