4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C14H24N6 — CID 107403125

IUPAC4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC1CCC1)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C14H24N6/c1-2-19(10-11-6-5-7-11)13-16-12(15)17-14(18-13)20-8-3-4-9-20/h11H,2-10H2,1H3,(H2,15,16,17,18)
InChIKeyWCGZMNFGMSDMRS-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.68
Rot. Bonds5

About 4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 107403125) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID107403125
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC1CCC1)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C14H24N6/c1-2-19(10-11-6-5-7-11)13-16-12(15)17-14(18-13)20-8-3-4-9-20/h11H,2-10H2,1H3,(H2,15,16,17,18)
InChIKeyWCGZMNFGMSDMRS-UHFFFAOYSA-N
XLogP1.68
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 107403037
2-N-(cyclopropylmethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80839965
4-N-ethyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80814474
4-N,4-N-diethyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80797361
4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819926
6-[3-(dimethylamino)piperidin-1-yl]-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80833498
4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80789831
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80825594
6-(4,4-dimethylpiperidin-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80824382
6-chloro-2-N-(cyclopropylmethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80839478
4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80804954

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 107403125) is 4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCN(CC1CCC1)c1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is WCGZMNFGMSDMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-2-19(10-11-6-5-7-11)13-16-12(15)17-14(18-13)20-8-3-4-9-20/h11H,2-10H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 276.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107403125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).