N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine

C16H26N4 — CID 62282645

IUPACN-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCC1CCN(c2cnc(C(C)C)nc2CNC2CC2)C1
InChIInChI=1S/C16H26N4/c1-11(2)16-18-9-15(20-7-6-12(3)10-20)14(19-16)8-17-13-4-5-13/h9,11-13,17H,4-8,10H2,1-3H3
InChIKeyZTLAYEGPENIKFN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.70
Rot. Bonds5

About N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine

N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 62282645) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID62282645
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine
SMILESCC1CCN(c2cnc(C(C)C)nc2CNC2CC2)C1
InChIInChI=1S/C16H26N4/c1-11(2)16-18-9-15(20-7-6-12(3)10-20)14(19-16)8-17-13-4-5-13/h9,11-13,17H,4-8,10H2,1-3H3
InChIKeyZTLAYEGPENIKFN-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62278808
N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 103539456
N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 79184229
N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700531
N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114216062
N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 62280514
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83185436
[5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086536
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62288310
4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62282983
4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine
CID 63635722
[5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63635364

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine (CID 62282645) is N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine is CC1CCN(c2cnc(C(C)C)nc2CNC2CC2)C1.
What is the InChIKey of N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is ZTLAYEGPENIKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-11(2)16-18-9-15(20-7-6-12(3)10-20)14(19-16)8-17-13-4-5-13/h9,11-13,17H,4-8,10H2,1-3H3.
What are the key properties of N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine?
N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62282645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).