N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine

C8H10IN3 — CID 115620662

IUPACN-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
SMILESIc1cnc(NCC2CC2)nc1
InChIInChI=1S/C8H10IN3/c9-7-4-11-8(12-5-7)10-3-6-1-2-6/h4-6H,1-3H2,(H,10,11,12)
InChIKeyLAJAGWLVJZMFSJ-UHFFFAOYSA-N
MW275.09 g/mol
LogP1.90
Rot. Bonds3

About N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine

N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine (PubChem CID 115620662) has the molecular formula C8H10IN3 and a molecular weight of 275.09 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
PubChem CID115620662
Molecular FormulaC8H10IN3
Molecular Weight275.09 g/mol
Exact Mass274.99
IUPAC NameN-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
SMILESIc1cnc(NCC2CC2)nc1
InChIInChI=1S/C8H10IN3/c9-7-4-11-8(12-5-7)10-3-6-1-2-6/h4-6H,1-3H2,(H,10,11,12)
InChIKeyLAJAGWLVJZMFSJ-UHFFFAOYSA-N
XLogP1.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
CID 106123816
N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine
CID 116649643
5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
CID 104841332
5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine
CID 106126066
4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130672
N-(cyclopentylmethyl)pyrimidin-2-amine
CID 43317116
2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine
CID 63726292
5-fluoro-N-(thian-4-ylmethyl)pyrimidin-2-amine
CID 115750149
5-chloro-N-(thian-4-ylmethyl)pyrimidin-2-amine
CID 115674171
4-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525747
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine
CID 122569805
N-[(3-aminocyclopentyl)methyl]-5-fluoropyrimidin-2-amine
CID 106126495

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine (CID 115620662) is N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine is Ic1cnc(NCC2CC2)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine?
The InChIKey is LAJAGWLVJZMFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3/c9-7-4-11-8(12-5-7)10-3-6-1-2-6/h4-6H,1-3H2,(H,10,11,12).
What are the key properties of N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine?
N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine has a molecular weight of 275.09 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine is sourced from PubChem (CID 115620662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).