N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine

C14H23IN4 — CID 116649438

IUPACN-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCN(c2ncc(I)cn2)C1
InChIInChI=1S/C14H23IN4/c1-14(2,3)18-7-11-5-4-6-19(10-11)13-16-8-12(15)9-17-13/h8-9,11,18H,4-7,10H2,1-3H3
InChIKeyIEYDNQKPUOLXIK-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.69
Rot. Bonds3

About N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 116649438) has the molecular formula C14H23IN4 and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID116649438
Molecular FormulaC14H23IN4
Molecular Weight374.27 g/mol
Exact Mass374.10
IUPAC NameN-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCN(c2ncc(I)cn2)C1
InChIInChI=1S/C14H23IN4/c1-14(2,3)18-7-11-5-4-6-19(10-11)13-16-8-12(15)9-17-13/h8-9,11,18H,4-7,10H2,1-3H3
InChIKeyIEYDNQKPUOLXIK-UHFFFAOYSA-N
XLogP2.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814374
1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116648585
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588139
2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
CID 104844112
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63873038
1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine
CID 104843511
tert-butyl N-[(3S)-1-(5-iodopyrimidin-2-yl)piperidin-3-yl]carbamate
CID 171390444
tert-butyl N-[[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]methyl]carbamate
CID 71632288
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 104606621
2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116648613
2-[3-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 139536626
1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine
CID 116648605

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine (CID 116649438) is N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCN(c2ncc(I)cn2)C1.
What is the InChIKey of N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is IEYDNQKPUOLXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN4/c1-14(2,3)18-7-11-5-4-6-19(10-11)13-16-8-12(15)9-17-13/h8-9,11,18H,4-7,10H2,1-3H3.
What are the key properties of N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 374.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116649438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).