4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine

C10H20N6 — CID 154138146

IUPAC4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CCNC2)C=CN1
InChIInChI=1S/C10H20N6/c11-9-14-4-3-10(12,15-9)2-1-6-16-7-5-13-8-16/h3-4,13H,1-2,5-8,12H2,(H3,11,14,15)
InChIKeyDPXRTMLLXPXAFM-UHFFFAOYSA-N
MW224.31 g/mol
LogP-1.28
Rot. Bonds4

About 4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine

4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine (PubChem CID 154138146) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
PubChem CID154138146
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CCNC2)C=CN1
InChIInChI=1S/C10H20N6/c11-9-14-4-3-10(12,15-9)2-1-6-16-7-5-13-8-16/h3-4,13H,1-2,5-8,12H2,(H3,11,14,15)
InChIKeyDPXRTMLLXPXAFM-UHFFFAOYSA-N
XLogP-1.28
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(3R,5S)-5-methylpyrrolidin-3-yl]-1,4-dihydropyrimidin-6-amine
CID 118973367
4-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492568
4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 149162525
4-ethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 150272786
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 150975062
4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 152770704
4-[3-(2,4-dihydroimidazol-3-yl)propyl]-1H-pyrimidine-2,4-diamine
CID 154107185
4-[3-(2,5-dihydropyrrol-1-yl)propyl]-1H-pyrimidine-2,4-diamine
CID 154150047
4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-diamine
CID 154177370
4-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-diamine
CID 154253562
4-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrimidine-2,4-diamine
CID 154376550
3-[(1-Ethylpyrrolidin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496542

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine (CID 154138146) is 4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(CCCN2CCNC2)C=CN1.
What is the InChIKey of 4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is DPXRTMLLXPXAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c11-9-14-4-3-10(12,15-9)2-1-6-16-7-5-13-8-16/h3-4,13H,1-2,5-8,12H2,(H3,11,14,15).
What are the key properties of 4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 224.31 g/mol, XLogP of -1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154138146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).