N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine

C17H30N6 — CID 67534033

IUPACN'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine
SMILESNCCCCCNc1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C17H30N6/c18-8-2-1-3-9-19-15-14-16(22-10-4-5-11-22)21-17(20-15)23-12-6-7-13-23/h14H,1-13,18H2,(H,19,20,21)
InChIKeyGSUIWUNGJBUZTD-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.22
Rot. Bonds8

About N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine

N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine (PubChem CID 67534033) has the molecular formula C17H30N6 and a molecular weight of 318.47 g/mol. Its IUPAC name is N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine
PubChem CID67534033
Molecular FormulaC17H30N6
Molecular Weight318.47 g/mol
Exact Mass318.25
IUPAC NameN'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine
SMILESNCCCCCNc1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C17H30N6/c18-8-2-1-3-9-19-15-14-16(22-10-4-5-11-22)21-17(20-15)23-12-6-7-13-23/h14H,1-13,18H2,(H,19,20,21)
InChIKeyGSUIWUNGJBUZTD-UHFFFAOYSA-N
XLogP2.22
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine
CID 67535108
N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine
CID 67529044
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
4-[[2-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethylamino]-3,4-dioxocyclobuten-1-yl]amino]benzonitrile
CID 25172962
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol
CID 22613293
1-[2-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl-methylamino]ethyl]-1-naphthalen-1-ylthiourea
CID 25115501
4-N-(4-aminobutyl)pyrimidine-2,4,6-triamine
CID 54487404
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644
N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910154
N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 19428533

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine?
The IUPAC name of N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine (CID 67534033) is N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine?
The canonical SMILES for N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine is NCCCCCNc1cc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine?
The InChIKey is GSUIWUNGJBUZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6/c18-8-2-1-3-9-19-15-14-16(22-10-4-5-11-22)21-17(20-15)23-12-6-7-13-23/h14H,1-13,18H2,(H,19,20,21).
What are the key properties of N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine?
N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine has a molecular weight of 318.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine is sourced from PubChem (CID 67534033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).