4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine

C13H26N6 — CID 80785658

IUPAC4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
SMILESCCN(CC)CCCC(C)Nc1cc(N)nc(N)n1
InChIInChI=1S/C13H26N6/c1-4-19(5-2)8-6-7-10(3)16-12-9-11(14)17-13(15)18-12/h9-10H,4-8H2,1-3H3,(H5,14,15,16,17,18)
InChIKeyMTNFOURSGFUVFR-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.56
Rot. Bonds8

About 4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine

4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine (PubChem CID 80785658) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
PubChem CID80785658
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
SMILESCCN(CC)CCCC(C)Nc1cc(N)nc(N)n1
InChIInChI=1S/C13H26N6/c1-4-19(5-2)8-6-7-10(3)16-12-9-11(14)17-13(15)18-12/h9-10H,4-8H2,1-3H3,(H5,14,15,16,17,18)
InChIKeyMTNFOURSGFUVFR-UHFFFAOYSA-N
XLogP1.56
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one
CID 136955975
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 43115432
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 66325658
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
CID 80954835
2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile
CID 83073411
4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine
CID 80907899
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 79532522
4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 80815883
(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
CID 36691119
4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80769685
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957518

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine (CID 80785658) is 4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine is CCN(CC)CCCC(C)Nc1cc(N)nc(N)n1.
What is the InChIKey of 4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine?
The InChIKey is MTNFOURSGFUVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-4-19(5-2)8-6-7-10(3)16-12-9-11(14)17-13(15)18-12/h9-10H,4-8H2,1-3H3,(H5,14,15,16,17,18).
What are the key properties of 4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine?
4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine has a molecular weight of 266.39 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80785658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).