N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine

C13H25N5 — CID 113388230

IUPACN,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine
SMILESCC(C)NCc1cnc(N(C)CCN(C)C)nc1
InChIInChI=1S/C13H25N5/c1-11(2)14-8-12-9-15-13(16-10-12)18(5)7-6-17(3)4/h9-11,14H,6-8H2,1-5H3
InChIKeyQDQBGAHOEXJXNC-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.97
Rot. Bonds7

About N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 113388230) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID113388230
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine
SMILESCC(C)NCc1cnc(N(C)CCN(C)C)nc1
InChIInChI=1S/C13H25N5/c1-11(2)14-8-12-9-15-13(16-10-12)18(5)7-6-17(3)4/h9-11,14H,6-8H2,1-5H3
InChIKeyQDQBGAHOEXJXNC-UHFFFAOYSA-N
XLogP0.97
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine with MolForge

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
4-N-(2,2-dimethylpropyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80818780
4-Amino-2-(diethylamino)-5-pyrimidinecarbonitrile
CID 2816412
Aminomethylpyrimidine
CID 6946837
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227255
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227319
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227326
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine (CID 113388230) is N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine is CC(C)NCc1cnc(N(C)CCN(C)C)nc1.
What is the InChIKey of N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is QDQBGAHOEXJXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11(2)14-8-12-9-15-13(16-10-12)18(5)7-6-17(3)4/h9-11,14H,6-8H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 251.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 113388230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).