N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine

C13H22N4 — CID 106603001

IUPACN-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccncn1)CC1CCCN1
InChIInChI=1S/C13H22N4/c1-11(2)17(8-12-4-3-6-15-12)9-13-5-7-14-10-16-13/h5,7,10-12,15H,3-4,6,8-9H2,1-2H3
InChIKeyNNGICAJYNDREEO-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.44
Rot. Bonds5

About N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine

N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine (PubChem CID 106603001) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine
PubChem CID106603001
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccncn1)CC1CCCN1
InChIInChI=1S/C13H22N4/c1-11(2)17(8-12-4-3-6-15-12)9-13-5-7-14-10-16-13/h5,7,10-12,15H,3-4,6,8-9H2,1-2H3
InChIKeyNNGICAJYNDREEO-UHFFFAOYSA-N
XLogP1.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine
CID 106622951
4-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82596500
N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621945
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614482
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603195
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603092
N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 106632071
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine
CID 106622229
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632096

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine (CID 106603001) is N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine is CC(C)N(Cc1ccncn1)CC1CCCN1.
What is the InChIKey of N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The InChIKey is NNGICAJYNDREEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(2)17(8-12-4-3-6-15-12)9-13-5-7-14-10-16-13/h5,7,10-12,15H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106603001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).