N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine

C16H29N5 — CID 63700531

IUPACN'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCC(C)c1ncc(N(C)CCN(C)C)c(CNC2CC2)n1
InChIInChI=1S/C16H29N5/c1-12(2)16-18-11-15(21(5)9-8-20(3)4)14(19-16)10-17-13-6-7-13/h11-13,17H,6-10H2,1-5H3
InChIKeyAETCUTTVUSSLRG-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.85
Rot. Bonds8

About N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63700531) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63700531
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCC(C)c1ncc(N(C)CCN(C)C)c(CNC2CC2)n1
InChIInChI=1S/C16H29N5/c1-12(2)16-18-11-15(21(5)9-8-20(3)4)14(19-16)10-17-13-6-7-13/h11-13,17H,6-10H2,1-5H3
InChIKeyAETCUTTVUSSLRG-UHFFFAOYSA-N
XLogP1.85
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 63700531) is N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine is CC(C)c1ncc(N(C)CCN(C)C)c(CNC2CC2)n1.
What is the InChIKey of N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is AETCUTTVUSSLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12(2)16-18-11-15(21(5)9-8-20(3)4)14(19-16)10-17-13-6-7-13/h11-13,17H,6-10H2,1-5H3.
What are the key properties of N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 291.44 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63700531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).