6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine

C14H23IN4 — CID 115347083

IUPAC6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCN(C)C)nc(C2CC2)c1I
InChIInChI=1S/C14H23IN4/c1-4-8-16-14-12(15)13(10-5-6-10)17-11(18-14)7-9-19(2)3/h10H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyCYLYPINMECWYBH-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.88
Rot. Bonds7

About 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine

6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 115347083) has the molecular formula C14H23IN4 and a molecular weight of 374.27 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine
PubChem CID115347083
Molecular FormulaC14H23IN4
Molecular Weight374.27 g/mol
Exact Mass374.10
IUPAC Name6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCN(C)C)nc(C2CC2)c1I
InChIInChI=1S/C14H23IN4/c1-4-8-16-14-12(15)13(10-5-6-10)17-11(18-14)7-9-19(2)3/h10H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyCYLYPINMECWYBH-UHFFFAOYSA-N
XLogP2.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.88
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-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 115347061
2-[2-(dimethylamino)ethyl]-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115347066
6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine
CID 66304213
6-cyclopropyl-5-iodo-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116777235
6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80638585
4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80980867
6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66304220
6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503075
6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine
CID 66299026
5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 66302144
5-bromo-6-cyclopropyl-2-[2-(diethylamino)ethyl]-N-methylpyrimidin-4-amine
CID 66303763
2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine
CID 102844092

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine (CID 115347083) is 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(CCN(C)C)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is CYLYPINMECWYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN4/c1-4-8-16-14-12(15)13(10-5-6-10)17-11(18-14)7-9-19(2)3/h10H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine?
6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 374.27 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[2-(dimethylamino)ethyl]-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115347083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).