4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

C14H27N5 — CID 80934593

IUPAC4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(CCN(C)C)CC(C)C)n1
InChIInChI=1S/C14H27N5/c1-6-13-16-12(15)9-14(17-13)19(10-11(2)3)8-7-18(4)5/h9,11H,6-8,10H2,1-5H3,(H2,15,16,17)
InChIKeyUTHAYMQTUGOIAL-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.65
Rot. Bonds7

About 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 80934593) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID80934593
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(N(CCN(C)C)CC(C)C)n1
InChIInChI=1S/C14H27N5/c1-6-13-16-12(15)9-14(17-13)19(10-11(2)3)8-7-18(4)5/h9,11H,6-8,10H2,1-5H3,(H2,15,16,17)
InChIKeyUTHAYMQTUGOIAL-UHFFFAOYSA-N
XLogP1.65
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 80934593) is 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is CCc1nc(N)cc(N(CCN(C)C)CC(C)C)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is UTHAYMQTUGOIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-6-13-16-12(15)9-14(17-13)19(10-11(2)3)8-7-18(4)5/h9,11H,6-8,10H2,1-5H3,(H2,15,16,17).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80934593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).