4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine

C14H20N4 — CID 114178266

IUPAC4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine
SMILESCC(C)C(CCN)Nc1ncnc2ccccc12
InChIInChI=1S/C14H20N4/c1-10(2)12(7-8-15)18-14-11-5-3-4-6-13(11)16-9-17-14/h3-6,9-10,12H,7-8,15H2,1-2H3,(H,16,17,18)
InChIKeyUEXRLEILTCQDHJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.42
Rot. Bonds5

About 4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine

4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine (PubChem CID 114178266) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine
PubChem CID114178266
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine
SMILESCC(C)C(CCN)Nc1ncnc2ccccc12
InChIInChI=1S/C14H20N4/c1-10(2)12(7-8-15)18-14-11-5-3-4-6-13(11)16-9-17-14/h3-6,9-10,12H,7-8,15H2,1-2H3,(H,16,17,18)
InChIKeyUEXRLEILTCQDHJ-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-3-methylbutan-2-yl)quinazolin-4-amine
CID 79266861
N-heptan-2-ylquinazolin-4-amine
CID 54950682
3-N-(2,1-benzothiazol-3-yl)-4-methylpentane-1,3-diamine
CID 106357564
N-undecan-2-ylquinazolin-4-amine
CID 86111387
3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol
CID 106348202
N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386758
N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine
CID 65029030
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
CID 106286875
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine
CID 106357602
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine?
The IUPAC name of 4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine (CID 114178266) is 4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine is CC(C)C(CCN)Nc1ncnc2ccccc12.
What is the InChIKey of 4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine?
The InChIKey is UEXRLEILTCQDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)12(7-8-15)18-14-11-5-3-4-6-13(11)16-9-17-14/h3-6,9-10,12H,7-8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine?
4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine is sourced from PubChem (CID 114178266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).