N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine

C21H39N7 — CID 67535421

IUPACN'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)CCCN(C)c1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C21H39N7/c1-22-10-8-11-25(2)12-9-13-26(3)19-18-20(27-14-4-5-15-27)24-21(23-19)28-16-6-7-17-28/h18,22H,4-17H2,1-3H3
InChIKeyQSPCHCBJBPNDFU-UHFFFAOYSA-N
MW389.59 g/mol
LogP2.04
Rot. Bonds11

About N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine

N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 67535421) has the molecular formula C21H39N7 and a molecular weight of 389.59 g/mol. Its IUPAC name is N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID67535421
Molecular FormulaC21H39N7
Molecular Weight389.59 g/mol
Exact Mass389.33
IUPAC NameN'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)CCCN(C)c1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C21H39N7/c1-22-10-8-11-25(2)12-9-13-26(3)19-18-20(27-14-4-5-15-27)24-21(23-19)28-16-6-7-17-28/h18,22H,4-17H2,1-3H3
InChIKeyQSPCHCBJBPNDFU-UHFFFAOYSA-N
XLogP2.04
TPSA50.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'-dimethylpentane-1,5-diamine
CID 142760300
N-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
CID 54086029
N'-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine
CID 67529044
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
CID 173080172
3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745440
N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine
CID 67535108
N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909455
N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112868823
2-[[(3R,4R)-4-(hydroxymethyl)-1-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol
CID 70784017
1-(4-tert-butylphenyl)-3-[2-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl-methylamino]ethyl]thiourea
CID 25115729
N'-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)pentane-1,5-diamine
CID 67534033

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine (CID 67535421) is N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine is CNCCCN(C)CCCN(C)c1cc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is QSPCHCBJBPNDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N7/c1-22-10-8-11-25(2)12-9-13-26(3)19-18-20(27-14-4-5-15-27)24-21(23-19)28-16-6-7-17-28/h18,22H,4-17H2,1-3H3.
What are the key properties of N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine?
N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 389.59 g/mol, XLogP of 2.04, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-methylamino]propyl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 67535421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).