4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

C14H21N7 — CID 80819888

IUPAC4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(CC)CC2CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H21N7/c1-3-16-12-17-13(20(4-2)9-11-5-6-11)19-14(18-12)21-8-7-15-10-21/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,17,18,19)
InChIKeyQDLOGERBJGCLAZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.73
Rot. Bonds7

About 4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80819888) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80819888
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(CC)CC2CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H21N7/c1-3-16-12-17-13(20(4-2)9-11-5-6-11)19-14(18-12)21-8-7-15-10-21/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,17,18,19)
InChIKeyQDLOGERBJGCLAZ-UHFFFAOYSA-N
XLogP1.73
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80912708
N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80900414
2-N,4-N-diethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80775772
4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754298
2-N-ethyl-6-imidazol-1-yl-4-N-methyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80780584
2-N-ethyl-6-imidazol-1-yl-4-N-(3-methoxypropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80809214
1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822955
4-hydrazinyl-6-imidazol-1-yl-N,N-dipropyl-1,3,5-triazin-2-amine
CID 80931860
4-N-ethyl-6-imidazol-1-yl-2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 103065340
6-imidazol-1-yl-2-N-[(3-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107415965
4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419
6-chloro-2-N,2-N-bis(cyclopropylmethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80834947

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80819888) is 4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(N(CC)CC2CC2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is QDLOGERBJGCLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-3-16-12-17-13(20(4-2)9-11-5-6-11)19-14(18-12)21-8-7-15-10-21/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80819888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).