6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine

C14H26N4 — CID 25133613

IUPAC6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCCc1cc(NCC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C14H26N4/c1-6-12-7-13(15-8-10(2)3)18-14(17-12)16-9-11(4)5/h7,10-11H,6,8-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyMQGNVQNFJZWUAO-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.17
Rot. Bonds7

About 6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine

6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 25133613) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID25133613
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCCc1cc(NCC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C14H26N4/c1-6-12-7-13(15-8-10(2)3)18-14(17-12)16-9-11(4)5/h7,10-11H,6,8-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyMQGNVQNFJZWUAO-UHFFFAOYSA-N
XLogP3.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine (CID 25133613) is 6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine is CCc1cc(NCC(C)C)nc(NCC(C)C)n1.
What is the InChIKey of 6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is MQGNVQNFJZWUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-12-7-13(15-8-10(2)3)18-14(17-12)16-9-11(4)5/h7,10-11H,6,8-9H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25133613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).