N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide

C14H11Cl2N7O — CID 600154

IUPACN-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide
SMILESNc1nc(N)c2nc(CN(C=O)c3ccc(Cl)c(Cl)c3)cnc2n1
InChIInChI=1S/C14H11Cl2N7O/c15-9-2-1-8(3-10(9)16)23(6-24)5-7-4-19-13-11(20-7)12(17)21-14(18)22-13/h1-4,6H,5H2,(H4,17,18,19,21,22)
InChIKeyUTWKHPXTPKNQNO-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.05
Rot. Bonds4

About N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide

N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide (PubChem CID 600154) has the molecular formula C14H11Cl2N7O and a molecular weight of 364.20 g/mol. Its IUPAC name is N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide.

Molecular Properties

Compound NameN-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide
PubChem CID600154
Molecular FormulaC14H11Cl2N7O
Molecular Weight364.20 g/mol
Exact Mass363.04
IUPAC NameN-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide
SMILESNc1nc(N)c2nc(CN(C=O)c3ccc(Cl)c(Cl)c3)cnc2n1
InChIInChI=1S/C14H11Cl2N7O/c15-9-2-1-8(3-10(9)16)23(6-24)5-7-4-19-13-11(20-7)12(17)21-14(18)22-13/h1-4,6H,5H2,(H4,17,18,19,21,22)
InChIKeyUTWKHPXTPKNQNO-UHFFFAOYSA-N
XLogP2.05
TPSA123.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3,4-Dichlorophenyl)piperazin-1-Yl]pyrimidine-2,4-Diamine
CID 122164615
6-[(4-Chloroanilino)methyl]pteridine-2,4-diamine
CID 314603
N-[(2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide
CID 456894
N-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-ylmethyl)-N-(3,4,5-trichloro-phenyl)-formamide
CID 456897
Pyrido(3,2-d)pyrimidine-2,4-diamine, 6-(((3,4-dichlorophenyl)amino)methyl)-
CID 457744
6-[(3,4,5-Trichloroanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457774
6-(((3,4-Dichlorophenyl)(methyl)amino)methyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 462102
6-[(3,4,5-trichloro-N-methyl-anilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 462104
6-[(3,4-dichloro-N-methyl-anilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 511809
1-{4-[4-(6,7-Dichloro-quinoxalin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 11761290
6-[(3,4-dichloro-N-propan-2-ylanilino)methyl]pteridine-2,4-diamine
CID 12417557
6-[(3,4-Dichlorophenyl)methyl]pteridine-2,4-diamine
CID 54096869

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide?
The IUPAC name of N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide (CID 600154) is N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide.
What is the SMILES notation for N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide?
The canonical SMILES for N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide is Nc1nc(N)c2nc(CN(C=O)c3ccc(Cl)c(Cl)c3)cnc2n1.
What is the InChIKey of N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide?
The InChIKey is UTWKHPXTPKNQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N7O/c15-9-2-1-8(3-10(9)16)23(6-24)5-7-4-19-13-11(20-7)12(17)21-14(18)22-13/h1-4,6H,5H2,(H4,17,18,19,21,22).
What are the key properties of N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide?
N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide has a molecular weight of 364.20 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-diaminopteridin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide is sourced from PubChem (CID 600154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).