2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine

C14H25N5 — CID 80807066

IUPAC2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCCCN1CCC(Nc2ccnc(NCC)n2)CC1
InChIInChI=1S/C14H25N5/c1-3-9-19-10-6-12(7-11-19)17-13-5-8-16-14(18-13)15-4-2/h5,8,12H,3-4,6-7,9-11H2,1-2H3,(H2,15,16,17,18)
InChIKeyBNTOUSSIOBSGOR-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.19
Rot. Bonds6

About 2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 80807066) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID80807066
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCCCN1CCC(Nc2ccnc(NCC)n2)CC1
InChIInChI=1S/C14H25N5/c1-3-9-19-10-6-12(7-11-19)17-13-5-8-16-14(18-13)15-4-2/h5,8,12H,3-4,6-7,9-11H2,1-2H3,(H2,15,16,17,18)
InChIKeyBNTOUSSIOBSGOR-UHFFFAOYSA-N
XLogP2.19
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80940140
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 112683417
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882231
2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80833263
6-hydrazinyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 80897058
2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
CID 60708962
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
ethyl 4-[[2-(butylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112883042
2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80807984
2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114517041

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 80807066) is 2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine is CCCN1CCC(Nc2ccnc(NCC)n2)CC1.
What is the InChIKey of 2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is BNTOUSSIOBSGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-9-19-10-6-12(7-11-19)17-13-5-8-16-14(18-13)15-4-2/h5,8,12H,3-4,6-7,9-11H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 263.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80807066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).