N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide

C14H13N5OS — CID 101077538

IUPACN-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide
SMILESNc1nc(N)c2cc(N(C=O)Cc3cccs3)ccc2n1
InChIInChI=1S/C14H13N5OS/c15-13-11-6-9(3-4-12(11)17-14(16)18-13)19(8-20)7-10-2-1-5-21-10/h1-6,8H,7H2,(H4,15,16,17,18)
InChIKeyNSDNZZNVNLXLOW-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.02
Rot. Bonds4

About N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide

N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide (PubChem CID 101077538) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide
PubChem CID101077538
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide
SMILESNc1nc(N)c2cc(N(C=O)Cc3cccs3)ccc2n1
InChIInChI=1S/C14H13N5OS/c15-13-11-6-9(3-4-12(11)17-14(16)18-13)19(8-20)7-10-2-1-5-21-10/h1-6,8H,7H2,(H4,15,16,17,18)
InChIKeyNSDNZZNVNLXLOW-UHFFFAOYSA-N
XLogP2.02
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-N,6-N-diethylquinazoline-2,4,6-triamine
CID 44531790
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 62135933
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine
CID 62208946
6-(nitrosomethyl)quinazoline-2,4-diamine
CID 172623336
4-(2-thiophen-2-ylethoxy)quinazolin-2-amine
CID 80872836
2,4-diaminoquinazoline-6-thiol
CID 91618965
N,2,3-trimethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 51205761
N-[4-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrimidin-4-yl]phenyl]-N-(thiophen-2-ylmethyl)formamide
CID 87779068
4-N-ethyl-4-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61436657
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine
CID 55174185
2-N-cyclopropyl-2-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79882328

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide?
The IUPAC name of N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide (CID 101077538) is N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide.
What is the SMILES notation for N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide?
The canonical SMILES for N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide is Nc1nc(N)c2cc(N(C=O)Cc3cccs3)ccc2n1.
What is the InChIKey of N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide?
The InChIKey is NSDNZZNVNLXLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c15-13-11-6-9(3-4-12(11)17-14(16)18-13)19(8-20)7-10-2-1-5-21-10/h1-6,8H,7H2,(H4,15,16,17,18).
What are the key properties of N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide?
N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide has a molecular weight of 299.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diaminoquinazolin-6-yl)-N-(thiophen-2-ylmethyl)formamide is sourced from PubChem (CID 101077538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).